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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

NameCHEMBL2059306
Molecular formulaC24H28N4O2
IUPAC name1-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one
Molecular weight404.514
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP3.8
SynonymsBDBM50388671
Inchi KeyAXDIUCNCCQGFAR-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H28N4O2/c29-23-11-10-18-6-1-3-8-21(18)27(23)15-5-14-26-16-12-19(13-17-26)28-22-9-4-2-7-20(22)25-24(28)30/h1-4,6-9,19H,5,10-17H2,(H,25,30)
PubChem CID62707610
ChEMBLCHEMBL2059306
IUPHARN/A
BindingDB50388671
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: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
16575D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
16576Muscarinic acetylcholine receptor M1P11229CHRM1Homo sapiens (Human)460
442304Muscarinic acetylcholine receptor M2P08172CHRM2Homo sapiens (Human)466
442306Muscarinic acetylcholine receptor M3P20309CHRM3Homo sapiens (Human)590
16574Muscarinic acetylcholine receptor M4P08173CHRM4Homo sapiens (Human)479
442305Muscarinic acetylcholine receptor M5P08912CHRM5Homo sapiens (Human)532

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