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Ligand

NameCHEMBL66173
Molecular formulaC26H31N7O3
IUPAC namemethyl 5-[3-butyl-5-oxo-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-1-yl]pentanoate
Molecular weight489.58
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP3.8
SynonymsSCHEMBL7396576
4-[[2'-(1H-Tetrazol-5-yl)-1,1'-biphenyl-4-yl]methyl]-4,5-dihydro-3-butyl-5-oxo-1H-1,2,4-triazole-1-pentanoic acid methyl ester
BDBM50044334
L006298
5-{3-Butyl-5-oxo-4-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-4,5-dihydro-[1,2,4]triazol-1-yl}-pentanoic acid methyl ester
Inchi KeyBQUFIDVGYDHRKS-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H31N7O3/c1-3-4-11-23-29-33(17-8-7-12-24(34)36-2)26(35)32(23)18-19-13-15-20(16-14-19)21-9-5-6-10-22(21)25-27-30-31-28-25/h5-6,9-10,13-16H,3-4,7-8,11-12,17-18H2,1-2H3,(H,27,28,30,31)
PubChem CID14951067
ChEMBLCHEMBL66173
IUPHARN/A
BindingDB50044334
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
30655Type-1B angiotensin II receptorP29089Agtr1bRattus norvegicus (Rat)359

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