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Ligand

NameCHEMBL368270
Molecular formulaC29H22O6
IUPAC name(Z)-2-(1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-3-(naphthalen-1-ylmethyl)-4-oxobut-2-enoic acid
Molecular weight466.489
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP6.0
SynonymsBDBM50146620
(Z)-2-Benzo[1,3]dioxol-5-yl-4-(4-methoxy-phenyl)-3-naphthalen-1-ylmethyl-4-oxo-but-2-enoic acid
Inchi KeyAQOCTSUNFMASEP-PNHLSOANSA-N
Inchi IDInChI=1S/C29H22O6/c1-33-22-12-9-19(10-13-22)28(30)24(15-20-7-4-6-18-5-2-3-8-23(18)20)27(29(31)32)21-11-14-25-26(16-21)35-17-34-25/h2-14,16H,15,17H2,1H3,(H,31,32)/b27-24-
PubChem CID10504389
ChEMBLCHEMBL368270
IUPHARN/A
BindingDB50146620
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
11955Endothelin-1 receptorP26684EdnraRattus norvegicus (Rat)426

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