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Ligand

NameCHEMBL417366
Molecular formulaC22H22N2O5
IUPAC name3-[[4-(2-carboxyphenyl)phenyl]methyl]-5-(hydroxymethyl)-2-propylimidazole-4-carboxylic acid
Molecular weight394.427
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP3.0
SynonymsBDBM50049108
3-(2''-Carboxy-biphenyl-4-ylmethyl)-5-hydroxymethyl-2-propyl-3H-imidazole-4-carboxylic acid
1-[(2'-Carboxy-1,1'-biphenyl-4-yl)methyl]-2-propyl-4-hydroxymethyl-1H-imidazole-5-carboxylic acid
Inchi KeyAWFAYNQXWUOZAC-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H22N2O5/c1-2-5-19-23-18(13-25)20(22(28)29)24(19)12-14-8-10-15(11-9-14)16-6-3-4-7-17(16)21(26)27/h3-4,6-11,25H,2,5,12-13H2,1H3,(H,26,27)(H,28,29)
PubChem CID10786794
ChEMBLCHEMBL417366
IUPHARN/A
BindingDB50049108
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
15944Type-1 angiotensin II receptorP25104AGTR1Bos taurus (Bovine)359

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