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Ligand

NameCHEMBL158875
Molecular formulaC30H40N2O5
IUPAC name(Z)-6-[(1R,2S,5R)-2-(azepan-1-yl)-5-[[4-[5-(hydroxymethyl)pyridin-3-yl]phenyl]methoxy]cyclopentyl]oxyhex-4-enoic acid
Molecular weight508.659
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP1.0
SynonymsBDBM50391310
Inchi KeyLDWKPIFSGPLNJT-PCFKBGPBSA-N
Inchi IDInChI=1S/C30H40N2O5/c33-21-24-18-26(20-31-19-24)25-11-9-23(10-12-25)22-37-28-14-13-27(32-15-5-1-2-6-16-32)30(28)36-17-7-3-4-8-29(34)35/h3,7,9-12,18-20,27-28,30,33H,1-2,4-6,8,13-17,21-22H2,(H,34,35)/b7-3-/t27-,28+,30+/m0/s1
PubChem CID15024092
ChEMBLCHEMBL158875
IUPHARN/A
BindingDB50391310
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
185020Thromboxane A2 receptorP21731TBXA2RHomo sapiens (Human)343
185021Thromboxane A2 receptorP34978Tbxa2rRattus norvegicus (Rat)341

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