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Ligand

NameCHEMBL161532
Molecular formulaC31H42N2O5
IUPAC name(Z)-6-[(1R,2S,5R)-2-(azepan-1-yl)-5-[[4-[4-(2-hydroxyethyl)pyridin-3-yl]phenyl]methoxy]cyclopentyl]oxyhex-4-enoic acid
Molecular weight522.686
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP1.5
SynonymsBDBM50391306
Inchi KeyBGPOBSBSTJWARV-HVYQDUJKSA-N
Inchi IDInChI=1S/C31H42N2O5/c34-20-16-26-15-17-32-22-27(26)25-11-9-24(10-12-25)23-38-29-14-13-28(33-18-5-1-2-6-19-33)31(29)37-21-7-3-4-8-30(35)36/h3,7,9-12,15,17,22,28-29,31,34H,1-2,4-6,8,13-14,16,18-21,23H2,(H,35,36)/b7-3-/t28-,29+,31+/m0/s1
PubChem CID15024094
ChEMBLCHEMBL161532
IUPHARN/A
BindingDB50391306
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
23281Thromboxane A2 receptorP21731TBXA2RHomo sapiens (Human)343
23282Thromboxane A2 receptorP34978Tbxa2rRattus norvegicus (Rat)341

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