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Ligand

NameCHEMBL159581
Molecular formulaC31H40N2O5
IUPAC name(Z)-6-[(1R,2S)-2-(azepan-1-yl)-5-[[4-(2-carbamoylphenyl)phenyl]methoxy]cyclopentyl]oxyhex-4-enoic acid
Molecular weight520.67
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP1.8
SynonymsBDBM50391295
Inchi KeyBCFQWPRFKYAFHU-GAFDFGGTSA-N
Inchi IDInChI=1S/C31H40N2O5/c32-31(36)26-11-6-5-10-25(26)24-15-13-23(14-16-24)22-38-28-18-17-27(33-19-7-1-2-8-20-33)30(28)37-21-9-3-4-12-29(34)35/h3,5-6,9-11,13-16,27-28,30H,1-2,4,7-8,12,17-22H2,(H2,32,36)(H,34,35)/b9-3-/t27-,28?,30+/m0/s1
PubChem CID44374564
ChEMBLCHEMBL159581
IUPHARN/A
BindingDB50391295
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
20137Thromboxane A2 receptorP21731TBXA2RHomo sapiens (Human)343
20138Thromboxane A2 receptorP34978Tbxa2rRattus norvegicus (Rat)341

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