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Ligand

NameCHEMBL158576
Molecular formulaC33H46N2O4
IUPAC name(Z)-6-[(1R,2S,5R)-2-(azepan-1-yl)-5-[[4-(4-butylpyridin-3-yl)phenyl]methoxy]cyclopentyl]oxyhex-4-enoic acid
Molecular weight534.741
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.8
SynonymsBDBM50391303
Inchi KeyAGAXMMPHPXHEAW-YFSTVHLBSA-N
Inchi IDInChI=1S/C33H46N2O4/c1-2-3-11-27-19-20-34-24-29(27)28-15-13-26(14-16-28)25-39-31-18-17-30(35-21-8-4-5-9-22-35)33(31)38-23-10-6-7-12-32(36)37/h6,10,13-16,19-20,24,30-31,33H,2-5,7-9,11-12,17-18,21-23,25H2,1H3,(H,36,37)/b10-6-/t30-,31+,33+/m0/s1
PubChem CID15024089
ChEMBLCHEMBL158576
IUPHARN/A
BindingDB50391303
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
4711Thromboxane A2 receptorP34978Tbxa2rRattus norvegicus (Rat)341
4712Thromboxane A2 receptorP21731TBXA2RHomo sapiens (Human)343

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