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Publications

Ismael Rodríguez-Espigares, Mariona Torrens-Fontanals, et al.. 2020. GPCRmd uncovers the dynamics of the 3D-GPCRome. Nature methods 17 (8). doi: 10.1038/s41592-020-0884-y. (http://doi.org/10.1038/s41592-020-0884-y)



Dynamic id Receptor Model name Uniprot entry name Uniprot ID Family Class PDB ID State Species Model type Source type Ligand(s) Num. of atoms Membrane composition Accum. sim. time (µs) Software Force field Submitted by
90 5-hydroxytryptamine receptor 1b 5-hydroxytryptamine receptor 1B in complex with ergotamine 5ht1b_human P28222 5-Hydroxytryptamine receptors A 4IAR.A Inactive Homo sapiens Complex X-ray Ergotamine 81056 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
85 5-hydroxytryptamine receptor 1b 5-hydroxytryptamine receptor 1B 5ht1b_human P28222 5-Hydroxytryptamine receptors A 4IAQ.A Inactive Homo sapiens Apoform X-ray 75571 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
87 5-hydroxytryptamine receptor 1b 5-hydroxytryptamine receptor 1B 5ht1b_human P28222 5-Hydroxytryptamine receptors A 4IAR.A Inactive Homo sapiens Apoform X-ray 82857 POPC 1.25 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
94 5-hydroxytryptamine receptor 2b 5-hydroxytryptamine receptor 2B in complex with ergotamine 5ht2b_human P41595 5-Hydroxytryptamine receptors A 4IB4.A Intermediate Homo sapiens Complex X-ray Ergotamine 80994 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
92 5-hydroxytryptamine receptor 2b 5-hydroxytryptamine receptor 2B 5ht2b_human P41595 5-Hydroxytryptamine receptors A 4IB4.A Intermediate Homo sapiens Apoform X-ray 80975 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
194 Muscarinic acetylcholine receptor m1 Muscarinic acetylcholine receptor M1 in complex with Tiotr... acm1_human P11229 Acetylcholine receptors (muscarinic) A 5CXV.A Inactive Homo sapiens Complex X-ray Tiotropium 87098 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
154 Muscarinic acetylcholine receptor m1 Muscarinic acetylcholine receptor M1 acm1_human P11229 Acetylcholine receptors (muscarinic) A 5CXV.A Inactive Homo sapiens Apoform X-ray 87092 POPC 1.40 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
69 Muscarinic acetylcholine receptor m2 Muscarinic acetylcholine receptor M2 in complex with iperoxo acm2_human P08172 Acetylcholine receptors (muscarinic) A 4MQS.A Active Homo sapiens Complex X-ray Chembl3121473 87053 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
112 Muscarinic acetylcholine receptor m2 Muscarinic acetylcholine receptor M2 in complex with QUINU... acm2_human P08172 Acetylcholine receptors (muscarinic) A 3UON.A Inactive Homo sapiens Complex X-ray Quinuclidinyl benzilate 79232 POPC 1.35 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
68 Muscarinic acetylcholine receptor m2 Muscarinic acetylcholine receptor M2 acm2_human P08172 Acetylcholine receptors (muscarinic) A 4MQS.A Active Homo sapiens Apoform X-ray 87046 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
72 Muscarinic acetylcholine receptor m2 Muscarinic acetylcholine receptor M2 acm2_human P08172 Acetylcholine receptors (muscarinic) A 4MQT.A Active Homo sapiens Apoform X-ray 83956 POPC 1.45 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
111 Muscarinic acetylcholine receptor m2 Muscarinic acetylcholine receptor M2 acm2_human P08172 Acetylcholine receptors (muscarinic) A 3UON.A Inactive Homo sapiens Apoform X-ray 79216 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
174 Muscarinic acetylcholine receptor m3 Muscarinic acetylcholine receptor M3 in complex with Tiotr... acm3_rat P08483 Acetylcholine receptors (muscarinic) A 4U15.B Inactive Rattus norvegicus Complex X-ray Tiotropium 75909 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
176 Muscarinic acetylcholine receptor m3 Muscarinic acetylcholine receptor M3 in complex with Pamin... acm3_rat P08483 Acetylcholine receptors (muscarinic) A 4U16.B Inactive Rattus norvegicus Complex X-ray Paminereg 75787 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
175 Muscarinic acetylcholine receptor m3 Muscarinic acetylcholine receptor M3 acm3_rat P08483 Acetylcholine receptors (muscarinic) A 4U16.B Inactive Rattus norvegicus Apoform X-ray 75782 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
93 Muscarinic acetylcholine receptor m3 Muscarinic acetylcholine receptor M3 acm3_rat P08483 Acetylcholine receptors (muscarinic) A 4U15.B Inactive Rattus norvegicus Apoform X-ray 76185 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
173 Muscarinic acetylcholine receptor m4 Muscarinic acetylcholine receptor M4 in complex with Tiotr... acm4_human P08173 Acetylcholine receptors (muscarinic) A 5DSG.B Inactive Homo sapiens Complex X-ray Tiotropium 87497 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
157 Muscarinic acetylcholine receptor m4 Muscarinic acetylcholine receptor M4 acm4_human P08173 Acetylcholine receptors (muscarinic) A 5DSG.B Inactive Homo sapiens Apoform X-ray 87482 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
15 Beta-1 adrenergic receptor Beta-1 adrenergic receptor in complex with R-dobutamine adrb1_melga P07700 Adrenoceptors A 2Y00.B Inactive Meleagris gallopavo Complex X-ray (r)-dobutamine 86234 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
16 Beta-1 adrenergic receptor Partially thermostabilized Beta-1 adrenergic receptor in c... adrb1_melga P07700 Adrenoceptors A 2Y00.B Inactive Meleagris gallopavo Complex X-ray (r)-dobutamine 76842 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
19 Beta-1 adrenergic receptor Beta-1 adrenergic receptor in complex with carmoterol adrb1_melga P07700 Adrenoceptors A 2Y02.B Inactive Meleagris gallopavo Complex X-ray Carmoterol 86857 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
20 Beta-1 adrenergic receptor Partially thermostabilized Beta-1 adrenergic receptor in c... adrb1_melga P07700 Adrenoceptors A 2Y02.B Inactive Meleagris gallopavo Complex X-ray Carmoterol 76290 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
25 Beta-1 adrenergic receptor Beta-1 adrenergic receptor in complex with levisoprenaline adrb1_melga P07700 Adrenoceptors A 2Y03.B Inactive Meleagris gallopavo Complex X-ray Levisoprenaline 90471 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
26 Beta-1 adrenergic receptor Partially thermostabilized Beta-1 adrenergic receptor in c... adrb1_melga P07700 Adrenoceptors A 2Y03.B Inactive Meleagris gallopavo Complex X-ray Levisoprenaline 76306 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
29 Beta-1 adrenergic receptor Beta-1 adrenergic receptor in complex with levalbuterol adrb1_melga P07700 Adrenoceptors A 2Y04.B Inactive Meleagris gallopavo Complex X-ray Levalbuterol 93756 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
55 Beta-1 adrenergic receptor Beta-1 adrenergic receptor in complex with levalbuterol adrb1_melga P07700 Adrenoceptors A 2Y04.B Inactive Meleagris gallopavo Complex X-ray Levalbuterol 76085 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
57 Beta-1 adrenergic receptor Beta-1 adrenergic receptor complex with carazolol adrb1_melga P07700 Adrenoceptors A 2YCW.A Inactive Meleagris gallopavo Complex X-ray (s)-carazolol 80491 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
58 Beta-1 adrenergic receptor Partially thermostabilized Beta-1 adrenergic receptor adrb1_melga P07700 Adrenoceptors A 4BVN.A Inactive Meleagris gallopavo Complex X-ray Cyanopindolol 75113 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
133 Beta-1 adrenergic receptor Beta-1 adrenergic receptor in complex with 4-(1-Piperaziny... adrb1_melga P07700 Adrenoceptors A 3ZPQ.B Inactive Meleagris gallopavo Complex X-ray 4-(1-piperazinyl)-1h-indole 97689 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
134 Beta-1 adrenergic receptor Partially thermostabilized Beta-1 adrenergic receptor in c... adrb1_melga P07700 Adrenoceptors A 3ZPQ.B Inactive Meleagris gallopavo Complex X-ray 4-(1-piperazinyl)-1h-indole 81132 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
140 Beta-1 adrenergic receptor Partially thermostabilized Beta-1 adrenergic receptor adrb1_melga P07700 Adrenoceptors A 4AMI.A Inactive Meleagris gallopavo Complex X-ray Unii-19kxx4i4yc 79173 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
149 Beta-1 adrenergic receptor Beta-1 adrenergic receptor in complex with XTK adrb1_melga P07700 Adrenoceptors A 5A8E.A Inactive Meleagris gallopavo Complex X-ray 4-[(2s)-3-(tert-butylamino)-2-hydroxypropoxy]-7-methyl-1h-... 89626 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
150 Beta-1 adrenergic receptor Partially thermostabilized Beta-1 adrenergic receptor in c... adrb1_melga P07700 Adrenoceptors A 5A8E.A Inactive Meleagris gallopavo Complex X-ray 4-[(2s)-3-(tert-butylamino)-2-hydroxypropoxy]-7-methyl-1h-... 80911 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
167 Beta-1 adrenergic receptor Beta-1 adrenergic receptor adrb1_melga P07700 Adrenoceptors A 4AMJ.B Inactive Meleagris gallopavo Complex X-ray (s)-carvedilol 79278 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
195 Beta-1 adrenergic receptor Partially thermostabilized Beta-1 adrenergic receptor in c... adrb1_melga P07700 Adrenoceptors A 4AMJ.B Inactive Meleagris gallopavo Complex X-ray (s)-carvedilol 77488 POPC 1.50 ACEMD CPUGRID CHARMM 36m Feb 2016 GPCRmd community
23 Beta-1 adrenergic receptor Beta-1 adrenergic receptor adrb1_melga P07700 Adrenoceptors A 2Y03.B Inactive Meleagris gallopavo Apoform X-ray 90495 POPC 1.35 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
13 Beta-1 adrenergic receptor Beta-1 adrenergic receptor adrb1_melga P07700 Adrenoceptors A 2Y00.B Inactive Meleagris gallopavo Apoform X-ray 86233 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
14 Beta-1 adrenergic receptor Partially thermostabilized Beta-1 adrenergic receptor adrb1_melga P07700 Adrenoceptors A 2Y00.B Inactive Meleagris gallopavo Apoform X-ray 76838 POPC 1.40 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
17 Beta-1 adrenergic receptor Beta-1 adrenergic receptor adrb1_melga P07700 Adrenoceptors A 2Y02.B Inactive Meleagris gallopavo Apoform X-ray 86862 POPC 1.20 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
18 Beta-1 adrenergic receptor Partially thermostabilized Beta-1 adrenergic receptor adrb1_melga P07700 Adrenoceptors A 2Y02.B Inactive Meleagris gallopavo Apoform X-ray 76289 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
24 Beta-1 adrenergic receptor Partially thermostabilized Beta-1 adrenergic receptor adrb1_melga P07700 Adrenoceptors A 2Y03.B Inactive Meleagris gallopavo Apoform X-ray 76309 POPC 1.40 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
27 Beta-1 adrenergic receptor Beta-1 adrenergic receptor adrb1_melga P07700 Adrenoceptors A 2Y04.B Inactive Meleagris gallopavo Apoform X-ray 93783 POPC 1.35 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
28 Beta-1 adrenergic receptor Partially thermostabilized Beta-1 adrenergic receptor adrb1_melga P07700 Adrenoceptors A 2Y04.B Inactive Meleagris gallopavo Apoform X-ray 76120 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
56 Beta-1 adrenergic receptor Beta-1 adrenergic receptor adrb1_melga P07700 Adrenoceptors A 2YCW.A Inactive Meleagris gallopavo Apoform X-ray 80523 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
64 Beta-1 adrenergic receptor Partially thermostabilized Beta-1 adrenergic receptor adrb1_melga P07700 Adrenoceptors A 2YCW.A Inactive Meleagris gallopavo Apoform X-ray 75879 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
131 Beta-1 adrenergic receptor Beta-1 adrenergic receptor adrb1_melga P07700 Adrenoceptors A 3ZPQ.B Inactive Meleagris gallopavo Apoform X-ray 97771 POPC 1.10 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
132 Beta-1 adrenergic receptor Partially thermostabilized Beta-1 adrenergic receptor adrb1_melga P07700 Adrenoceptors A 3ZPQ.B Inactive Meleagris gallopavo Apoform X-ray 81110 POPC 1.30 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
135 Beta-1 adrenergic receptor Beta-1 adrenergic receptor adrb1_melga P07700 Adrenoceptors A 3ZPR.B Inactive Meleagris gallopavo Apoform X-ray 85662 POPC 1.20 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
136 Beta-1 adrenergic receptor Partially thermostabilized Beta-1 adrenergic receptor adrb1_melga P07700 Adrenoceptors A 3ZPR.B Inactive Meleagris gallopavo Apoform X-ray 80298 POPC 1.35 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
137 Beta-1 adrenergic receptor Partially thermostabilized Beta-1 adrenergic receptor adrb1_melga P07700 Adrenoceptors A 3ZPR.B Inactive Meleagris gallopavo Apoform X-ray 80298 POPC 1.35 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
138 Beta-1 adrenergic receptor Beta-1 adrenergic receptor adrb1_melga P07700 Adrenoceptors A 4AMI.A Inactive Meleagris gallopavo Apoform X-ray 85040 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
139 Beta-1 adrenergic receptor Partially thermostabilized Beta-1 adrenergic receptor adrb1_melga P07700 Adrenoceptors A 4AMI.A Inactive Meleagris gallopavo Apoform X-ray 79153 POPC 1.35 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
141 Beta-1 adrenergic receptor Beta-1 adrenergic receptor adrb1_melga P07700 Adrenoceptors A 4AMJ.B Inactive Meleagris gallopavo Apoform X-ray 79278 POPC 1.15 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
142 Beta-1 adrenergic receptor Partially thermostabilized Beta-1 adrenergic receptor adrb1_melga P07700 Adrenoceptors A 4AMJ.B Inactive Meleagris gallopavo Apoform X-ray 77479 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
143 Beta-1 adrenergic receptor Beta-1 adrenergic receptor adrb1_melga P07700 Adrenoceptors A 4BVN.A Inactive Meleagris gallopavo Apoform X-ray 85765 POPC 1.45 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
144 Beta-1 adrenergic receptor Partially thermostabilized Beta-1 adrenergic receptor adrb1_melga P07700 Adrenoceptors A 4BVN.A Inactive Meleagris gallopavo Apoform X-ray 75112 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
147 Beta-1 adrenergic receptor Beta-1 adrenergic receptor adrb1_melga P07700 Adrenoceptors A 5A8E.A Inactive Meleagris gallopavo Apoform X-ray 89628 POPC 1.25 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
148 Beta-1 adrenergic receptor Partially thermostabilized Beta-1 adrenergic receptor adrb1_melga P07700 Adrenoceptors A 5A8E.A Inactive Meleagris gallopavo Apoform X-ray 80925 POPC 1.45 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
123 Beta-2 adrenergic receptor Beta-2 adrenergic receptor in complex with ICI-118551 adrb2_human P07550 Adrenoceptors A 3NY8.A Inactive Homo sapiens Complex X-ray Ici-118551 79354 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
117 Beta-2 adrenergic receptor Beta-2 adrenergic receptor in complex with epinephrine adrb2_human P07550 Adrenoceptors A 4LDO.A Active Homo sapiens Complex X-ray Iop 89367 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
160 Beta-2 adrenergic receptor Beta-2 adrenergic receptor in complex with (S)-carozol adrb2_human P07550 Adrenoceptors A 5JQH.A Inactive Homo sapiens Complex X-ray (s)-carazolol 85991 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
83 Beta-2 adrenergic receptor Beta-2 adrenergic receptor in complex with Aquanil adrb2_human P07550 Adrenoceptors A 3D4S.A Inactive Homo sapiens Complex X-ray Aquanil 81266 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
99 Beta-2 adrenergic receptor Beta-2 adrenergic receptor in complex with CHEMBL1233771 adrb2_human P07550 Adrenoceptors A 3NY9.A Inactive Homo sapiens Complex X-ray Chembl1233771 84034 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
115 Beta-2 adrenergic receptor Beta-2 adrenergic receptor in complex with CHEMBL1160696 adrb2_human P07550 Adrenoceptors A 4LDL.A Active Homo sapiens Complex X-ray Chembl1160696 88334 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
121 Beta-2 adrenergic receptor Beta-2 adrenergic receptor in complex with 8-[(1r)-2-{[1,1... adrb2_human P07550 Adrenoceptors A 4LDE.A Active Homo sapiens Complex X-ray Chembl579394 91064 POPC 1.35 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
124 Beta-2 adrenergic receptor Beta-2 adrenergic receptor in complex with (-)-Alprenolol adrb2_human P07550 Adrenoceptors A 3NYA.A Inactive Homo sapiens Complex X-ray (-)-alprenolol 74259 POPC 1.20 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
11 Beta-2 adrenergic receptor Beta-2 adrenergic receptor adrb2_human P07550 Adrenoceptors A 2RH1.A Inactive Homo sapiens Apoform X-ray 83081 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
65 Beta-2 adrenergic receptor Beta-2 adrenergic receptor adrb2_human P07550 Adrenoceptors A 3D4S.A Inactive Homo sapiens Apoform X-ray 81277 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
88 Beta-2 adrenergic receptor Beta-2 adrenergic receptor adrb2_human P07550 Adrenoceptors A 3NY8.A Inactive Homo sapiens Apoform X-ray 79348 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
96 Beta-2 adrenergic receptor Beta-2 adrenergic receptor adrb2_human P07550 Adrenoceptors A 3NY9.A Inactive Homo sapiens Apoform X-ray 84022 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
100 Beta-2 adrenergic receptor Beta-2 adrenergic receptor adrb2_human P07550 Adrenoceptors A 3NYA.A Inactive Homo sapiens Apoform X-ray 74247 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
82 Beta-2 adrenergic receptor Beta-2 adrenergic receptor adrb2_human P07550 Adrenoceptors A 4QKX.A Active Homo sapiens Apoform X-ray 89643 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
113 Beta-2 adrenergic receptor Beta-2 adrenergic receptor adrb2_human P07550 Adrenoceptors A 4LDE.A Active Homo sapiens Apoform X-ray 91065 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
107 Beta-2 adrenergic receptor Beta-2 adrenergic receptor adrb2_human P07550 Adrenoceptors A 3PDS.A Inactive Homo sapiens Apoform X-ray 93416 POPC 1.35 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
114 Beta-2 adrenergic receptor Beta-2 adrenergic receptor adrb2_human P07550 Adrenoceptors A 4LDL.A Active Homo sapiens Apoform X-ray 88317 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
116 Beta-2 adrenergic receptor Beta-2 adrenergic receptor adrb2_human P07550 Adrenoceptors A 4LDO.A Active Homo sapiens Apoform X-ray 89361 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
159 Beta-2 adrenergic receptor Beta-2 adrenergic receptor adrb2_human P07550 Adrenoceptors A 5JQH.A Inactive Homo sapiens Apoform X-ray 85978 POPC 1.35 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
106 D(3) dopamine receptor D(3) dopamine receptor in complex with Eticlopride drd3_human P35462 Dopamine receptors A 3PBL.A Inactive Homo sapiens Complex X-ray Eticlopride 90321 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
105 D(3) dopamine receptor D(3) dopamine receptor drd3_human P35462 Dopamine receptors A 3PBL.A Inactive Homo sapiens Apoform X-ray 90326 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
109 Histamine h1 receptor Histamine H1 receptor in complex with doxepin hrh1_human P35367 Histamine receptors A 3RZE.A Inactive Homo sapiens Complex X-ray E-doxepin 61250 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
126 Histamine h1 receptor Histamine H1 receptor in complex with Z-doxepin hrh1_human P35367 Histamine receptors A 3RZE.A Inactive Homo sapiens Complex X-ray Z-doxepin 61250 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
108 Histamine h1 receptor Histamine H1 receptor hrh1_human P35367 Histamine receptors A 3RZE.A Inactive Homo sapiens Apoform X-ray 61233 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
120 Type-1 angiotensin ii receptor Type-1 angiotensin II receptor with olmesartan agtr1_human P30556 Angiotensin receptors A 4ZUD.A Inactive Homo sapiens Complex X-ray Olmesartan 72226 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
146 Type-1 angiotensin ii receptor Type-1 angiotensin II receptor agtr1_human P30556 Angiotensin receptors A 4ZUD.A Inactive Homo sapiens Complex X-ray Olmesartan 72226 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
190 Type-1 angiotensin ii receptor Type-1 angiotensin II receptor in complex with olmesartan agtr1_human P30556 Angiotensin receptors A 4ZUD.A Inactive Homo sapiens Complex X-ray Olmesartan 72232 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
166 Type-1 angiotensin ii receptor Type-1 angiotensin II receptor agtr1_human P30556 Angiotensin receptors A 4YAY.A Inactive Homo sapiens Apoform X-ray 76991 POPC 1.45 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
189 Type-1 angiotensin ii receptor Type-1 angiotensin II receptor agtr1_human P30556 Angiotensin receptors A 4ZUD.A Inactive Homo sapiens Apoform X-ray 72199 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
168 Endothelin b receptor Endothelin B receptor in complex with Endothelin-1 ednrb_human P24530 Endothelin receptors A 5GLH Inactive Homo sapiens Complex X-ray 71427 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
158 Endothelin b receptor Endothelin B receptor ednrb_human P24530 Endothelin receptors A 5GLH.A Inactive Homo sapiens Apoform X-ray 71247 POPC 1.40 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
71 Neurotensin receptor type 1 Neurotensin receptor type 1 in complex with neurotensin ntr1_rat P20789 Neurotensin receptors A 4GRV Active Rattus norvegicus Complex X-ray 79718 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
178 Neurotensin receptor type 1 Neurotensin receptor type 1 in complex with Neurotensin ntr1_rat P20789 Neurotensin receptors A 4XEE Active Rattus norvegicus Complex X-ray 72301 POPC 1.45 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
66 Neurotensin receptor type 1 Neurotensin receptor type 1 ntr1_rat P20789 Neurotensin receptors A 4GRV.A Active Rattus norvegicus Apoform X-ray 79668 POPC 1.45 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
177 Neurotensin receptor type 1 Neurotensin receptor type 1 ntr1_rat P20789 Neurotensin receptors A 4XEE.A Active Rattus norvegicus Apoform X-ray 72209 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
145 Delta-type opioid receptor Delta-type opioid receptor in complex with Naltrindole oprd_human P41143 Opioid receptors A 4N6H.A Inactive Homo sapiens Complex X-ray Naltrindole 64043 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
73 Delta-type opioid receptor Delta-type opioid receptor oprd_human P41143 Opioid receptors A 4N6H.A Inactive Homo sapiens Apoform X-ray 64015 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
84 Delta-type opioid receptor Delta-type opioid receptor oprd_human P41143 Opioid receptors A 4RWD.A Inactive Homo sapiens Apoform X-ray 68040 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
60 Kappa-type opioid receptor Kappa-type opioid receptor in complex with JDTic oprk_human P41145 Opioid receptors A 4DJH.A Inactive Homo sapiens Complex X-ray Jdtic 70767 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
59 Kappa-type opioid receptor Kappa-type opioid receptor oprk_human P41145 Opioid receptors A 4DJH.A Inactive Homo sapiens Apoform X-ray 70739 POPC 1.45 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
169 Mu-type opioid receptor Mu-type opioid receptor in complex with BU72 oprm_mouse P42866 Opioid receptors A 5C1M.A Active Mus musculus Complex X-ray Chembl321570 70461 POPC 1.25 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
61 Mu-type opioid receptor Mu-type opioid receptor oprm_mouse P42866 Opioid receptors A 4DKL.A Inactive Mus musculus Apoform X-ray 73528 POPC 1.35 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
151 Mu-type opioid receptor Mu-type opioid receptor oprm_mouse P42866 Opioid receptors A 5C1M.A Active Mus musculus Apoform X-ray 70430 POPC 1.10 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
70 Nociceptin receptor Nociceptin receptor in complex with 1-benzyl-N-[3-(1'H,3H-... oprx_human P41146 Opioid receptors A 4EA3.A Inactive Homo sapiens Complex X-ray Chembl201945 67103 POPC 1.45 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
62 Nociceptin receptor Nociceptin receptor oprx_human P41146 Opioid receptors A 4EA3.A Inactive Homo sapiens Apoform X-ray 67078 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
155 Nociceptin receptor Nociceptin receptor oprx_human P41146 Opioid receptors A 5DHH.A Inactive Homo sapiens Apoform X-ray 62143 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
156 Nociceptin receptor Nociceptin receptor oprx_human P41146 Opioid receptors A 5DHG.A Inactive Homo sapiens Apoform X-ray 65059 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
188 Orexin receptor type 1 Orexin receptor type 1 in complex with sb-674042 ox1r_human O43613 Orexin receptors A 4ZJC.A Inactive Homo sapiens Complex X-ray Sb-674042 85801 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
187 Orexin receptor type 1 Orexin receptor type 1 in complex with suvorexant ox1r_human O43613 Orexin receptors A 4ZJ8.A Inactive Homo sapiens Complex X-ray Suvorexant 87043 POPC 1.40 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
186 Orexin receptor type 1 Orexin receptor type 1 ox1r_human O43613 Orexin receptors A 4ZJ8.A Inactive Homo sapiens Apoform X-ray 87031 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
172 Orexin receptor type 2 Orexin receptor type 2 in complex with Suvorexant ox2r_human O43614 Orexin receptors A 4S0V.A Inactive Homo sapiens Complex X-ray Suvorexant 86270 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
91 Orexin receptor type 2 Orexin receptor type 2 ox2r_human O43614 Orexin receptors A 4S0V.A Inactive Homo sapiens Apoform X-ray 86259 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
129 Proteinase-activated receptor 1 Proteinase-activated receptor 1 par1_human P25116 Proteinase-activated receptors A 3VW7.A Intermediate Homo sapiens Complex X-ray Vorapaxar 64840 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
130 Proteinase-activated receptor 1 Proteinase-activated receptor 1 in complex with Vorapaxar par1_human P25116 Proteinase-activated receptors A 3VW7.A Intermediate Homo sapiens Complex X-ray Vorapaxar 64843 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
128 Proteinase-activated receptor 1 Proteinase-activated receptor 1 par1_human P25116 Proteinase-activated receptors A 3VW7.A Intermediate Homo sapiens Apoform X-ray 64823 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
67 C-c chemokine receptor type 5 C-C chemokine receptor type 5 in complex with maravirocum ccr5_human P51681 Chemokine receptors A 4MBS.A Inactive Homo sapiens Complex X-ray Maravirocum 67039 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
119 C-c chemokine receptor type 5 C-C chemokine receptor type 5 in complex with maravirocum ccr5_human P51681 Chemokine receptors A 4MBS.A Inactive Homo sapiens Complex X-ray Maravirocum 67047 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
118 C-c chemokine receptor type 5 C-C chemokine receptor type 5 ccr5_human P51681 Chemokine receptors A 4MBS.A Inactive Homo sapiens Apoform X-ray 67008 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
103 C-x-c chemokine receptor type 4 C-X-C chemokine receptor type 4 in complex with 1t cxcr4_human P61073 Chemokine receptors A 3ODU.A Inactive Homo sapiens Complex X-ray It1t 68317 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
102 C-x-c chemokine receptor type 4 C-X-C chemokine receptor type 4 in complex with IT1t cxcr4_human P61073 Chemokine receptors A 3ODU.A Inactive Homo sapiens Complex X-ray It1t 68347 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb GPCRmd community
86 C-x-c chemokine receptor type 4 C-X-C chemokine receptor type 4 in complex with vMIP-II W5... cxcr4_human P61073 Chemokine receptors A 4RWS Inactive Homo sapiens Complex X-ray 98076 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
89 C-x-c chemokine receptor type 4 C-X-C chemokine receptor type 4 in complex with vMIP-II W5... cxcr4_human P61073 Chemokine receptors A 4RWS Inactive Homo sapiens Complex X-ray 98073 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
101 C-x-c chemokine receptor type 4 C-X-C chemokine receptor type 4 cxcr4_human P61073 Chemokine receptors A 3ODU.A Inactive Homo sapiens Apoform X-ray 68282 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
104 C-x-c chemokine receptor type 4 C-X-C chemokine receptor type 4 cxcr4_human P61073 Chemokine receptors A 3OE0.A Inactive Homo sapiens Apoform X-ray 68927 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
98 C-x-c chemokine receptor type 4 C-X-C chemokine receptor type 4 cxcr4_human P61073 Chemokine receptors A 4RWS.A Inactive Homo sapiens Apoform X-ray 80392 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
76 Free fatty acid receptor 1 Free fatty acid receptor 1 in complex with TAK-875 ffar1_human O14842 Free fatty acid receptors A 4PHU.A Intermediate Homo sapiens Complex X-ray Tak-875 64998 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
75 Free fatty acid receptor 1 Free fatty acid receptor 1 ffar1_human O14842 Free fatty acid receptors A 4PHU.A Intermediate Homo sapiens Apoform X-ray 65033 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
183 Lysophosphatidic acid receptor 1 Lysophosphatidic acid receptor 1 in complex with ono9780307 lpar1_human Q92633 Lysophospholipid (LPA) receptors A 4Z34.A Inactive Homo sapiens Complex X-ray Ono9780307 81088 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
185 Lysophosphatidic acid receptor 1 Lysophosphatidic acid receptor 1 in complex withi ono-308... lpar1_human Q92633 Lysophospholipid (LPA) receptors A 4Z36.A Inactive Homo sapiens Complex X-ray Ono-3080573 75727 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
171 Lysophosphatidic acid receptor 1 Lysophosphatidic acid receptor 1 lpar1_human Q92633 Lysophospholipid (LPA) receptors A 4Z34.A Inactive Homo sapiens Apoform X-ray 81072 POPC 1.15 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
184 Lysophosphatidic acid receptor 1 Lysophosphatidic acid receptor 1 lpar1_human Q92633 Lysophospholipid (LPA) receptors A 4Z35.A Inactive Homo sapiens Apoform X-ray 77526 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
127 Sphingosine 1-phosphate receptor 1 Sphingosine 1-phosphate receptor 1 in complex with W146 s1pr1_human P21453 Lysophospholipid (S1P) receptors A 3V2Y.A Inactive Homo sapiens Complex X-ray W146 80762 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
63 Sphingosine 1-phosphate receptor 1 Sphingosine 1-phosphate receptor 1 s1pr1_human P21453 Lysophospholipid (S1P) receptors A 3V2Y.A Inactive Homo sapiens Apoform X-ray 80764 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
22 Cannabinoid receptor 1 Cannabinoid receptor 1 in complex with taranabant cnr1_human P21554 Cannabinoid receptors A 5U09.A Inactive Homo sapiens Complex X-ray Taranabant 69095 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
164 Cannabinoid receptor 1 Cannabinoid receptor 1 in complex with Taranabant cnr1_human P21554 Cannabinoid receptors A 5U09.A Inactive Homo sapiens Complex X-ray Taranabant 69095 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
162 Cannabinoid receptor 1 Cannabinoid receptor 1 cnr1_human P21554 Cannabinoid receptors A 5TGZ.A Inactive Homo sapiens Apoform X-ray 77514 POPC 1.40 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
163 Cannabinoid receptor 1 Cannabinoid receptor 1 cnr1_human P21554 Cannabinoid receptors A 5U09.A Inactive Homo sapiens Apoform X-ray 69092 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
21 Adenosine receptor a1 Adenosine receptor A1 aa1r_human P30542 Adenosine receptors A 5UEN.Z Inactive Homo sapiens Apoform X-ray 79638 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
165 Adenosine receptor a1 Adenosine receptor A1 aa1r_human P30542 Adenosine receptors A 5UEN.Z Inactive Homo sapiens Apoform X-ray 79638 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
33 Adenosine receptor a2a Adenosine receptor A2a in complex with NECA aa2ar_human P29274 Adenosine receptors A 2YDV.A Active Homo sapiens Complex X-ray N-ethyl-5'-carboxamido adenosine 88821 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
48 Adenosine receptor a2a Adenosine receptor A2a in complex with N-ethyl-5'-carboxam... aa2ar_human P29274 Adenosine receptors A 5G53.A Active Homo sapiens Complex X-ray N-ethyl-5'-carboxamido adenosine 98653 POPC 1.10 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
46 Adenosine receptor a2a Adenosine receptor A2a in complex CGS-21680 aa2ar_human P29274 Adenosine receptors A 4UHR.A Active Homo sapiens Complex X-ray Cgs-21680 85036 POPC 1.20 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
44 Adenosine receptor a2a Adenosine receptor A2a in complex with ZM241385 aa2ar_human P29274 Adenosine receptors A 4EIY.A Inactive Homo sapiens Complex X-ray Zm241385 79221 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
50 Adenosine receptor a2a Adenosine receptor A2a in complex with ZM241385 aa2ar_human P29274 Adenosine receptors A 5IU4.A Inactive Homo sapiens Complex X-ray Zm241385 86718 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
31 Adenosine receptor a2a Adenosine receptor A2a in complex with adenosine aa2ar_human P29274 Adenosine receptors A 2YDO.A Active Homo sapiens Complex X-ray Adenosine 88167 POPC 1.05 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
36 Adenosine receptor a2a Adenosine receptor A2a in complex with xanthine amine cong... aa2ar_human P29274 Adenosine receptors A 3REY.A Inactive Homo sapiens Complex X-ray Xanthine amine congener 100039 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
38 Adenosine receptor a2a Adenosine receptor A2a in complex with caffeine aa2ar_human P29274 Adenosine receptors A 3RFM.A Inactive Homo sapiens Complex X-ray Caffeine 92961 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
40 Adenosine receptor a2a Adenosine receptor A2a in complex with 6-(2,6-dimethylpyri... aa2ar_human P29274 Adenosine receptors A 3UZA.A Inactive Homo sapiens Complex X-ray Chembl2024115 83957 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
42 Adenosine receptor a2a Adenosine receptor A2a in complex with 4-(3-Amino-5-phenyl... aa2ar_human P29274 Adenosine receptors A 3UZC.A Inactive Homo sapiens Complex X-ray Chembl2024114 97100 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
30 Adenosine receptor a2a Adenosine receptor A2a aa2ar_human P29274 Adenosine receptors A 2YDO.A Active Homo sapiens Apoform X-ray 88172 POPC 1.15 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
32 Adenosine receptor a2a Adenosine receptor A2a aa2ar_human P29274 Adenosine receptors A 2YDV.A Active Homo sapiens Apoform X-ray 88802 POPC 1.45 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
34 Adenosine receptor a2a Adenosine receptor A2a aa2ar_human P29274 Adenosine receptors A 3QAK.A Active Homo sapiens Apoform X-ray 90135 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
35 Adenosine receptor a2a Adenosine receptor A2a aa2ar_human P29274 Adenosine receptors A 3REY.A Inactive Homo sapiens Apoform X-ray 100015 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
37 Adenosine receptor a2a Adenosine receptor A2a aa2ar_human P29274 Adenosine receptors A 3RFM.A Inactive Homo sapiens Apoform X-ray 92953 POPC 1.10 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
39 Adenosine receptor a2a Adenosine receptor A2a aa2ar_human P29274 Adenosine receptors A 3UZA.A Inactive Homo sapiens Apoform X-ray 83916 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
41 Adenosine receptor a2a Adenosine receptor A2a aa2ar_human P29274 Adenosine receptors A 3UZC.A Inactive Homo sapiens Apoform X-ray 97093 POPC 1.40 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
43 Adenosine receptor a2a Adenosine receptor A2a aa2ar_human P29274 Adenosine receptors A 4EIY.A Inactive Homo sapiens Apoform X-ray 79215 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
45 Adenosine receptor a2a Adenosine receptor A2a aa2ar_human P29274 Adenosine receptors A 4UHR.A Active Homo sapiens Apoform X-ray 85022 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
47 Adenosine receptor a2a Adenosine receptor A2a aa2ar_human P29274 Adenosine receptors A 5G53.A Active Homo sapiens Apoform X-ray 98659 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
49 Adenosine receptor a2a Adenosine receptor A2a aa2ar_human P29274 Adenosine receptors A 5IU4.A Inactive Homo sapiens Apoform X-ray 86703 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
51 Adenosine receptor a2a Adenosine receptor A2a aa2ar_human P29274 Adenosine receptors A 5IU7.A Inactive Homo sapiens Apoform X-ray 78332 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
52 Adenosine receptor a2a Adenosine receptor A2a aa2ar_human P29274 Adenosine receptors A 5IU8.A Inactive Homo sapiens Apoform X-ray 90038 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
53 Adenosine receptor a2a Adenosine receptor A2a aa2ar_human P29274 Adenosine receptors A 5IUA.A Inactive Homo sapiens Apoform X-ray 86479 POPC 1.45 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
54 Adenosine receptor a2a Adenosine receptor A2a aa2ar_human P29274 Adenosine receptors A 5IUB.A Inactive Homo sapiens Apoform X-ray 85682 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
181 P2y purinoceptor 1 P2Y purinoceptor 1 in complex with mrs-2500 p2ry1_human P47900 P2Y receptors A 4XNW.A Intermediate Homo sapiens Complex X-ray Mrs-2500 63564 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
182 P2y purinoceptor 1 P2Y purinoceptor 1 in complex with mrs-2500 p2ry1_human P47900 P2Y receptors A 4XNW.A Intermediate Homo sapiens Complex X-ray Mrs-2500 63561 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
206 P2y purinoceptor 1 P2Y purinoceptor 1 in complex with BPTU p2ry1_human P47900 P2Y receptors A 4XNV.A Intermediate Homo sapiens Complex X-ray Bptu 68835 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
207 P2y purinoceptor 1 P2Y purinoceptor 1 in complex with BPTU p2ry1_human P47900 P2Y receptors A 4XNV.A Intermediate Homo sapiens Complex X-ray Bptu 68835 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
179 P2y purinoceptor 1 P2Y purinoceptor 1 p2ry1_human P47900 P2Y receptors A 4XNV.A Intermediate Homo sapiens Apoform X-ray 68818 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
180 P2y purinoceptor 1 P2Y purinoceptor 1 p2ry1_human P47900 P2Y receptors A 4XNW.A Intermediate Homo sapiens Apoform X-ray 63523 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
78 P2y purinoceptor 12 P2Y purinoceptor 12 in complex with Methylthio-adenosine d... p2y12_human Q9H244 P2Y receptors A 4PXZ.A Intermediate Homo sapiens Complex X-ray Methylthio-adenosine diphosphate 65814 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
80 P2y purinoceptor 12 P2Y purinoceptor 12 in complex with 2-Mesatp p2y12_human Q9H244 P2Y receptors A 4PY0.A Intermediate Homo sapiens Complex X-ray 2-mesatp 71284 POPC 3.90 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
77 P2y purinoceptor 12 P2Y purinoceptor 12 p2y12_human Q9H244 P2Y receptors A 4PXZ.A Intermediate Homo sapiens Apoform X-ray 65732 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
79 P2y purinoceptor 12 P2Y purinoceptor 12 p2y12_human Q9H244 P2Y receptors A 4PY0.A Intermediate Homo sapiens Apoform X-ray 71250 POPC 1.45 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
12 Rhodopsin Rhodopsin opsd_bovin P02699 Opsins A 1U19.A Inactive Bos taurus Apoform X-ray 81138 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
122 Rhodopsin Rhodopsin opsd_bovin P02699 Opsins A 3DQB.A Active Bos taurus Apoform X-ray 68456 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
125 Rhodopsin Rhodopsin opsd_bovin P02699 Opsins A 3PQR.A Active Bos taurus Apoform X-ray 70593 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
170 G-protein coupled receptor homolog us28 G-protein coupled receptor homolog US28 us28_hcmva P69332 Unclassified A 4XT1.A Active Human cytomegalovirus (strain AD169) Apoform X-ray 76461 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
97 Corticotropin-releasing factor receptor 1 Corticotropin-releasing factor receptor 1 in complex with ... crfr1_human P34998 Corticotropin-releasing factor receptors B1 4K5Y.C Inactive Homo sapiens Complex X-ray Cp-376395 76319 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
95 Corticotropin-releasing factor receptor 1 Corticotropin-releasing factor receptor 1 crfr1_human P34998 Corticotropin-releasing factor receptors B1 4K5Y.C Inactive Homo sapiens Apoform X-ray 76298 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
110 Glucagon receptor Glucagon receptor glr_human P47871 Glucagon receptor family B1 4L6R.A Inactive Homo sapiens Apoform X-ray 83794 POPC 1.45 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
81 Metabotropic glutamate receptor 1 Metabotropic glutamate receptor 1 grm1_human Q13255 Metabotropic glutamate receptors C 4OR2.A Inactive Homo sapiens Apoform X-ray 64854 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
193 Metabotropic glutamate receptor 5 Metabotropic glutamate receptor 5 in complex with HTL14242 grm5_human P41594 Metabotropic glutamate receptors C 5CGD.A Inactive Homo sapiens Complex X-ray Htl14242 65484 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
74 Metabotropic glutamate receptor 5 Metabotropic glutamate receptor 5 grm5_human P41594 Metabotropic glutamate receptors C 4OO9.A Inactive Homo sapiens Apoform X-ray 69144 POPC 1.45 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
152 Metabotropic glutamate receptor 5 Metabotropic glutamate receptor 5 grm5_human P41594 Metabotropic glutamate receptors C 5CGC.A Inactive Homo sapiens Apoform X-ray 67330 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
153 Metabotropic glutamate receptor 5 Metabotropic glutamate receptor 5 grm5_human P41594 Metabotropic glutamate receptors C 5CGD.A Inactive Homo sapiens Apoform X-ray 65499 POPC 1.50 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
192 Smoothened homolog Smoothened homolog in complex with Vismodegib smo_human Q99835 Frizzled F 5L7I.Z Inactive Homo sapiens Complex X-ray Vismodegib 155588 POPC 1.45 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
161 Smoothened homolog Smoothened homolog smo_human Q99835 Frizzled F 5L7D.Z Inactive Homo sapiens Apoform X-ray 143599 POPC 1.35 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community
191 Smoothened homolog Smoothened homolog smo_human Q99835 Frizzled F 5L7I.Z Inactive Homo sapiens Apoform X-ray 155591 POPC 1.40 ACEMD GPUGRID CHARMM 36m Feb 2016 GPCRmd community

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