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Ligand

NameCHEMBL161252
Molecular formulaC32H43NO5
IUPAC name(Z)-6-[(1R,2S)-2-(azepan-1-yl)-5-[[4-[2-(2-hydroxyethyl)phenyl]phenyl]methoxy]cyclopentyl]oxyhex-4-enoic acid
Molecular weight521.698
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP2.5
SynonymsBDBM50391284
Inchi KeyCCRMJQHMJZIQLV-NFWRABKRSA-N
Inchi IDInChI=1S/C32H43NO5/c34-22-19-26-10-5-6-11-28(26)27-15-13-25(14-16-27)24-38-30-18-17-29(33-20-7-1-2-8-21-33)32(30)37-23-9-3-4-12-31(35)36/h3,5-6,9-11,13-16,29-30,32,34H,1-2,4,7-8,12,17-24H2,(H,35,36)/b9-3-/t29-,30?,32+/m0/s1
PubChem CID44374461
ChEMBLCHEMBL161252
IUPHARN/A
BindingDB50391284
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
38887Thromboxane A2 receptorP34978Tbxa2rRattus norvegicus (Rat)341
38888Thromboxane A2 receptorP21731TBXA2RHomo sapiens (Human)343

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