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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

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Ligand

NameCHEMBL145276
Molecular formulaC26H27N2O5-
IUPAC name2-[4-[(2-butyl-5-ethoxycarbonyl-4-methyl-6-oxopyrimidin-1-yl)methyl]phenyl]benzoate
Molecular weight447.511
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP4.9
SynonymsSodium; 4''-(2-butyl-5-ethoxycarbonyl-4-methyl-6-oxo-6H-pyrimidin-1-ylmethyl)-biphenyl-2-carboxylate
BDBM50004162
Inchi KeyDDDKNWUZYAJDHO-UHFFFAOYSA-M
Inchi IDInChI=1S/C26H28N2O5/c1-4-6-11-22-27-17(3)23(26(32)33-5-2)24(29)28(22)16-18-12-14-19(15-13-18)20-9-7-8-10-21(20)25(30)31/h7-10,12-15H,4-6,11,16H2,1-3H3,(H,30,31)/p-1
PubChem CID91928662
ChEMBLN/A
IUPHARN/A
BindingDB50004162
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
56984Type-1B angiotensin II receptorP29089Agtr1bRattus norvegicus (Rat)359

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