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Ligand

NameCHEMBL159272
Molecular formulaC30H39NO4
IUPAC name(Z)-6-[(1R,2S)-2-(azepan-1-yl)-5-[(4-phenylphenyl)methoxy]cyclopentyl]oxyhex-4-enoic acid
Molecular weight477.645
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.0
SynonymsBDBM50391286
Inchi KeyKMFPAIGKYNZRJV-LVIMBVLTSA-N
Inchi IDInChI=1S/C30H39NO4/c32-29(33)13-7-4-10-22-34-30-27(31-20-8-1-2-9-21-31)18-19-28(30)35-23-24-14-16-26(17-15-24)25-11-5-3-6-12-25/h3-6,10-12,14-17,27-28,30H,1-2,7-9,13,18-23H2,(H,32,33)/b10-4-/t27-,28?,30+/m0/s1
PubChem CID44374699
ChEMBLCHEMBL159272
IUPHARN/A
BindingDB50391286
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
172606Thromboxane A2 receptorP21731TBXA2RHomo sapiens (Human)343
172607Thromboxane A2 receptorP34978Tbxa2rRattus norvegicus (Rat)341

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