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Ligand

NameCHEMBL41087
Molecular formulaC24H20O6
IUPAC name(1S,2R,3R)-1-(1,3-benzodioxol-5-yl)-5-hydroxy-3-(4-methoxyphenyl)-2,3-dihydro-1H-indene-2-carboxylic acid
Molecular weight404.418
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP4.1
SynonymsBDBM50041622
(1S,2S,3R)-1-Benzo[1,3]dioxol-5-yl-5-hydroxy-3-(4-methoxy-phenyl)-indan-2-carboxylic acid
Inchi KeyBJSXTKDRYZUWEL-VJBWXMMDSA-N
Inchi IDInChI=1S/C24H20O6/c1-28-16-6-2-13(3-7-16)21-18-11-15(25)5-8-17(18)22(23(21)24(26)27)14-4-9-19-20(10-14)30-12-29-19/h2-11,21-23,25H,12H2,1H3,(H,26,27)/t21-,22+,23+/m1/s1
PubChem CID10453858
ChEMBLCHEMBL41087
IUPHARN/A
BindingDB50041622
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
25430Endothelin receptor type BP21451EdnrbRattus norvegicus (Rat)442
25432Endothelin receptor type BP24530EDNRBHomo sapiens (Human)442
25431Endothelin-1 receptorP25101EDNRAHomo sapiens (Human)427

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