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Ligand

NameCHEMBL161108
Molecular formulaC31H41NO5
IUPAC name(Z)-6-[(1R,2S,5S)-2-(azepan-1-yl)-5-[[4-[2-(hydroxymethyl)phenyl]phenyl]methoxy]cyclopentyl]oxyhex-4-enoic acid
Molecular weight507.671
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP2.1
SynonymsBDBM50391281
Inchi KeyKCLYPNKWGQYJSE-LYFCCYKMSA-N
Inchi IDInChI=1S/C31H41NO5/c33-22-26-10-5-6-11-27(26)25-15-13-24(14-16-25)23-37-29-18-17-28(32-19-7-1-2-8-20-32)31(29)36-21-9-3-4-12-30(34)35/h3,5-6,9-11,13-16,28-29,31,33H,1-2,4,7-8,12,17-23H2,(H,34,35)/b9-3-/t28-,29-,31+/m0/s1
PubChem CID44374517
ChEMBLCHEMBL161108
IUPHARN/A
BindingDB50391281
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
165892Thromboxane A2 receptorP34978Tbxa2rRattus norvegicus (Rat)341
165893Thromboxane A2 receptorP21731TBXA2RHomo sapiens (Human)343

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