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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

NameCHEMBL103529
Molecular formulaC23H26N4O2
IUPAC name11-[2-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl)acetyl]-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one
Molecular weight390.487
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP2.6
SynonymsBDBM50082338
11-(2-Octahydro-quinolizin-1-yl-acetyl)-6,11-dihydro-benzo[b]pyrido[2,3-e][1,4]diazepin-5-one
Inchi KeyBZSHUIFWUVAHTJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H26N4O2/c28-21(15-16-7-6-14-26-13-4-3-10-19(16)26)27-20-11-2-1-9-18(20)25-23(29)17-8-5-12-24-22(17)27/h1-2,5,8-9,11-12,16,19H,3-4,6-7,10,13-15H2,(H,25,29)
PubChem CID44333819
ChEMBLCHEMBL103529
IUPHARN/A
BindingDB50082338
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
36743Muscarinic acetylcholine receptor M1P08482Chrm1Rattus norvegicus (Rat)460
36745Muscarinic acetylcholine receptor M2P10980Chrm2Rattus norvegicus (Rat)466
36744Muscarinic acetylcholine receptor M3P08483Chrm3Rattus norvegicus (Rat)589

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