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Ligand

NameCHEMBL174573
Molecular formulaC29H28O10
IUPAC name(Z)-2-(7-methoxy-1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-4-oxo-3-[(3,4,5-trimethoxyphenyl)methyl]but-2-enoic acid
Molecular weight536.533
Hydrogen bond acceptor10
Hydrogen bond donor1
XlogP4.6
SynonymsBDBM50146622
SCHEMBL8183680
(Z)-2-(7-Methoxy-benzo[1,3]dioxol-5-yl)-4-(4-methoxy-phenyl)-4-oxo-3-(3,4,5-trimethoxy-benzyl)-but-2-enoic acid
Inchi KeyBTEOYYDFLYMVQF-QQTULTPQSA-N
Inchi IDInChI=1S/C29H28O10/c1-33-19-8-6-17(7-9-19)26(30)20(10-16-11-21(34-2)27(37-5)22(12-16)35-3)25(29(31)32)18-13-23(36-4)28-24(14-18)38-15-39-28/h6-9,11-14H,10,15H2,1-5H3,(H,31,32)/b25-20-
PubChem CID10840068
ChEMBLCHEMBL174573
IUPHARN/A
BindingDB50146622
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
32262Endothelin-1 receptorP26684EdnraRattus norvegicus (Rat)426

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