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Ligand

NameCHEMBL301705
Molecular formulaC29H30N4O5
IUPAC name2-butyl-3-[[4-[[(2S)-2-(2-carboxypyrrol-1-yl)-3-phenylpropanoyl]amino]phenyl]methyl]imidazole-4-carboxylic acid
Molecular weight514.582
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP4.8
Synonyms1-[4-[[(S)-1-Oxo-2-benzyl-2-[2-carboxy-1H-pyrrol-1-yl]ethyl]amino]benzyl]-2-butyl-1H-imidazole-5-carboxylic acid
BDBM50047929
2-Butyl-3-{4-[2-(2-carboxy-pyrrol-1-yl)-3-phenyl-propionylamino]-benzyl}-3H-imidazole-4-carboxylic acid
Inchi KeyGRBUICWYQXVYKZ-DEOSSOPVSA-N
Inchi IDInChI=1S/C29H30N4O5/c1-2-3-11-26-30-18-25(29(37)38)33(26)19-21-12-14-22(15-13-21)31-27(34)24(17-20-8-5-4-6-9-20)32-16-7-10-23(32)28(35)36/h4-10,12-16,18,24H,2-3,11,17,19H2,1H3,(H,31,34)(H,35,36)(H,37,38)/t24-/m0/s1
PubChem CID15356436
ChEMBLCHEMBL301705
IUPHARN/A
BindingDB50047929
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
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GLASS IDNameUniProtGeneSpeciesLength
103236Type-1B angiotensin II receptorP29089Agtr1bRattus norvegicus (Rat)359

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