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Ligand

NameCHEMBL159517
Molecular formulaC32H44N2O4
IUPAC name(Z)-6-[(1R,2S,5R)-2-(azepan-1-yl)-5-[[4-(4-propylpyridin-3-yl)phenyl]methoxy]cyclopentyl]oxyhex-4-enoic acid
Molecular weight520.714
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.2
SynonymsBDBM50391309
GR-83783
Inchi KeyBBQILAZFNVDEMU-PBIJAFQOSA-N
Inchi IDInChI=1S/C32H44N2O4/c1-2-10-26-18-19-33-23-28(26)27-14-12-25(13-15-27)24-38-30-17-16-29(34-20-7-3-4-8-21-34)32(30)37-22-9-5-6-11-31(35)36/h5,9,12-15,18-19,23,29-30,32H,2-4,6-8,10-11,16-17,20-22,24H2,1H3,(H,35,36)/b9-5-/t29-,30+,32+/m0/s1
PubChem CID15024088
ChEMBLCHEMBL159517
IUPHARN/A
BindingDB50391309
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
19747Thromboxane A2 receptorP21731TBXA2RHomo sapiens (Human)343
19748Thromboxane A2 receptorP34978Tbxa2rRattus norvegicus (Rat)341

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