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Ligand

NameCHEMBL88011
Molecular formulaC24H23ClN2O6S
IUPAC name2-[(3-carboxycyclohexyl)methyl]-4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-thiophen-2-ylpyrazole-3-carboxylic acid
Molecular weight502.966
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP4.9
SynonymsSCHEMBL7476675
2-(3-Carboxy-cyclohexylmethyl)-4-(6-chloro-benzo[1,3]dioxol-5-ylmethyl)-5-thiophen-2-yl-2H-pyrazole-3-carboxylic acid
BDBM50094000
Inchi KeyBJMVDHLIEILKHD-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H23ClN2O6S/c25-17-10-19-18(32-12-33-19)9-15(17)8-16-21(20-5-2-6-34-20)26-27(22(16)24(30)31)11-13-3-1-4-14(7-13)23(28)29/h2,5-6,9-10,13-14H,1,3-4,7-8,11-12H2,(H,28,29)(H,30,31)
PubChem CID17885920
ChEMBLCHEMBL88011
IUPHARN/A
BindingDB50094000
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
25284Endothelin receptor type BP21451EdnrbRattus norvegicus (Rat)442
25285Endothelin-1 receptorP26684EdnraRattus norvegicus (Rat)426

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