GPCRmd

Molecule Info: POPC

Smiles:
CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCC

InChIKey:
WTJKGGKOPKCXLL-VYOBOKEXSA-N

InChI:

1S/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

Complex structures in which this molecule appears :

References in which this molecule is mentioned:

Grimes, Jak and Koszegi, Zsombor and Lanoiselee, Yann and Miljus, Tamara and O'Brien, Shannon L. and Stepniewski, Tomasz M. and Medel-Lacruz, Brian and Baidya, Mithu and Makarova, Maria and Mistry, Ravi and Goulding, Joelle and Drube, Julia and Hoffmann, Carsten and Owen, Dylan M. and Shukla, Arun K. and Selent, Jana and Hill, Stephen J. and Calebiro, Davide. 2023. Plasma membrane preassociation drives β-arrestin coupling to receptors and activation. Cell 186 (10). doi: 10.1016/j.cell.2023.04.018.

Manbir Sandhu, Aaron Cho, Ning Ma, Elizaveta Mukhaleva, Yoon Namkung, Sangbae Lee, Soumadwip Ghosh, John H. Lee, David E. Gloriam, Stéphane A. Laporte, M. Madan Babu, Nagarajan Vaidehi. 2022. Dynamic spatiotemporal determinants modulate GPCR:G protein coupling selectivity and promiscuity. Nature Communications (). doi: 10.1038/s41467-022-34055-5.

. None. . (). doi: Graetz-et-al.

Billesbølle, C.B., de March, C.A., van der Velden, W.J.C. et al.. 2023. Structural basis of odorant recognition by a human odorant receptor. Nature 615 (). doi: 10.1038/s41586-023-05798-y.

Tomasz Maciej Stepniewski, Jeong Seok Jia, Yaejin Yuna, Hye-Jin Yoona, Kyungjin Mina, Ramanuj Banerjeec, Arun K. Shuklac, Jana Selent, Hyung Ho Lee. 2023. Structure of an activation intermediate of β-arrestin reveals the arginine switch mechanism. (). doi: ..

Lukas Grätz, Maria Kowalski-Jahn, Magdalena M. Scharf, Pawel Kozielewicz, Michael Jahn, Julien Bous, Nevin A. Lambert, David E. Gloriam, Gunnar Schulte. 2023. Pathway selectivity in Frizzleds is achieved by conserved micro-switches defining pathway-determining, active conformations. Nature Communications 14 (). doi: https://doi.org/10.1038/s41467-023-40213-0.

Patricia Miranda-Azpiazu Carolina Muguruza Tomasz Maciej Stepniewski Itziar Muneta-Arrate Luis Felipe Callado Javier Gonzalez-Maeso Jana Selent Rebeca Diez-Alarcia J. Javier Meana. 2023. Distinctive patterns of G protein coupling induced by the structurally similar 5-HT2A receptor ligands ketanserin and altanserin in human frontal cortex. None None (None). doi: ketanserine.

Tamaki Izume, Ryo Kawahara, Akiharu Uwamizu, Luying Chen, Shun Yaginuma, Jumpei Omi, Hiroki Kawana, Fengjue Hou, Fumiya K. Sano, Tatsuki Tanaka, Kazuhiro Kobayashi, Hiroyuki H. Okamoto, Yoshiaki Kise, Tomohiko Ohwada, Junken Aoki, Wataru Shihoya, Osamu Nureki. 2024. Structural basis for lysophosphatidylserine recognition by GPR34. Nature Communications 15 (None). doi: doi.org/10.1038/s41467-024-45046-z.

None. None. None. None None (None). doi: Provo.

Lorenza Pirona, Federico Ballabio, Mercedes Alfonso-Prieto, Riccardo Capelli. 2024. Calcium-Driven In Silico Inactivation of a Human Olfactory Receptor. Journal of Chemical Information and Modeling None (None). doi: 10.1021/acs.jcim.4c00249.

None. None. None. None None (None). doi: psybias.

Papadopoulos, M. Giovanna E. and Perhal, Alexander F. and Medel-Lacruz, Brian and Ladurner, Angela and Selent, Jana and Dirsch, Verena M. and Kolb, Peter. 2024. Discovery and characterization of small-molecule TGR5 ligands with agonistic activity. European Journal of Medicinal Chemistry None (None). doi: https://doi.org/10.1016/j.ejmech.2024.116616.

Alessandro Berghella, Tomasz M. Stepniewski, Annalaura Sabatucci Marta Lopez Ballastegui, Krzysztof Nowicki. Beatrice Dufrusine, Jana Selent, Enrico Dainese. None. Type-1 Cannabinoid receptor promiscuous coupling: computational insights into receptor-G protein interaction dynamics. None None (None). doi: Berghella.

None. None. Location-biased β-arrestin conformations direct G protein-coupled receptor signa. None None (None). doi: spatiotemporalsignaling.

None. None. Location-biased β-arrestin conformations direct G protein-coupled receptor signaling. None None (None). doi: None.

Bous, Julien and Kinsolving, Julia and Gratz, Lukas and Scharf, Magdalena M. and Voss, Jan Hendrik and Selcuk, Berkay and Adebali, Ogun and Schulte, Gunnar. 2024. Structural basis of frizzled 7 activation and allosteric regulation. Nature Communications 15 (1). doi: 10.1038/s41467-024-51664-4.

None. None. Location-biased β-arrestin conformations direct G protein-coupled receptor signa. None None (None). doi: None.

None. None. Location-biased β-arrestin conformations direct G protein-coupled receptor signa.. None None (None). doi: None.

Kumar, G. Aditya and Sarkar, Parijat and Stepniewski, Tomasz Maciej and Jafurulla, Md. and Singh, Shishu Pal and Selent, Jana and Chattopadhyay, Amitabha. 2021. A molecular sensor for cholesterol in the human serotonin 1A receptor. Science Advances 7 (30). doi: 10.1126/sciadv.abh2922.