GPCRmd

Molecule Info: POPC

Smiles:
CCCCCCCCCCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)(OCC[N+](C)(C)C)[O-]

InChIKey:
WTJKGGKOPKCXLL-VYOBOKEXNA-N

InChI:

1/C42H82NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h20-21,40H,6-19,22-39H2,1-5H3/b21-20-/t40-/m1/s1

InChIcol:
1

More information (from its Standard Form):

POPC

References in which this molecule is mentioned:

Giulia Morra, Asghar M Razavi, Kalpana Pandey, Harel Weinstein, Anant K Menon, George Khelashvili. 2018. Mechanisms of Lipid Scrambling by the G Protein-Coupled Receptor Opsin. Structure 26 (2). doi: 10.1016/j.str.2017.11.020.

Kozielewicz P, Turku A, Bowin C-F, Petersen J, Valnohova J, Consuelo Alonso Cañizal M, Ono Y, Inoue A, Hoffmann C, Schulte G. 2020. Structural insight into small molecule action on Frizzleds. Nature communications 1 (11). doi: 10.1038/s41467-019-14149-3.

Abhijeet Kapoor, Gerard Martinez-Rosell, Davide Provasi, Gianni de Fabritiis & Marta Filizola. 2017. Dynamic and Kinetic Elements of µ-Opioid Receptor Functional Selectivity. Scientific reports 7 (1). doi: 10.1038/s41598-017-11483-8.

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.

Ainoleena Turku; Hannes Schihada; Pawel Kozielewicz; Carl-Fredrik Bowin; Gunnar Schulte. 2021. Residue 6.43 defines receptor function in class F GPCRs. Nature communications 12 (1). doi: 10.1038/s41467-021-24004-z.

Lu Xu; Bo Chen; Hannes Schihada; Shane C. Wright; Ainoleena Turku; Yiran Wu; Gye-Won Han; Maria Kowalski-Jahn; Pawel Kozielewicz; Carl-Fredrik Bowin; Xianjun Zhang; Chao Li; Michel Bouvier; Gunnar Schulte; Fei Xu. 2021. Cryo-EM structure of constitutively active human Frizzled 7 in complex with heterotrimeric Gs. Cell Research (). doi: 10.1038/s41422-021-00525-6.

Peters, Brandon L. and Deng, Jinxia and Ferguson, Andrew L., Garriga, Pere. 2020. Free energy calculations of the functional selectivity of 5-HT2B G protein-coupled receptor. PLOS ONE 15 (12). doi: 10.1371/journal.pone.0243313.