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Ligand

NameCHEMBL162691
Molecular formulaC29H38N2O4
IUPAC name(Z)-6-[(1R,2S,5R)-2-(azepan-1-yl)-5-[(4-pyridin-4-ylphenyl)methoxy]cyclopentyl]oxyhex-4-enoic acid
Molecular weight478.633
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP1.9
SynonymsBDBM50391300
Inchi KeyHCLFUHWPLXVRIS-HLOJMEPRSA-N
Inchi IDInChI=1S/C29H38N2O4/c32-28(33)8-4-3-7-21-34-29-26(31-19-5-1-2-6-20-31)13-14-27(29)35-22-23-9-11-24(12-10-23)25-15-17-30-18-16-25/h3,7,9-12,15-18,26-27,29H,1-2,4-6,8,13-14,19-22H2,(H,32,33)/b7-3-/t26-,27+,29+/m0/s1
PubChem CID15024095
ChEMBLCHEMBL162691
IUPHARN/A
BindingDB50391300
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
111409Thromboxane A2 receptorP21731TBXA2RHomo sapiens (Human)343
111410Thromboxane A2 receptorP34978Tbxa2rRattus norvegicus (Rat)341

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