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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

NameCHEMBL422407
Molecular formulaC25H31N7O4
IUPAC name3-acetamido-N-[2-[4-[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]piperazin-1-yl]ethyl]propanamide
Molecular weight493.568
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP-1.3
Synonyms3-Acetylamino-N-(2-{4-[2-oxo-2-(6-oxo-5,6-dihydro-benzo[e]pyrido[3,2-b][1,4]diazepin-11-yl)-ethyl]-piperazin-1-yl}-ethyl)-propionamide
BDBM50012358
5,11-Dihydro-11-[[4-[2-[3-(acetylamino)propanoylamino]ethyl]-1-piperazinyl]acetyl]-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one
Inchi KeyFTSYUMRTYVZTSI-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H31N7O4/c1-18(33)26-10-8-22(34)27-11-12-30-13-15-31(16-14-30)17-23(35)32-21-7-3-2-5-19(21)25(36)29-20-6-4-9-28-24(20)32/h2-7,9H,8,10-17H2,1H3,(H,26,33)(H,27,34)(H,29,36)
PubChem CID15050951
ChEMBLCHEMBL422407
IUPHARN/A
BindingDB50012358
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
87081Muscarinic acetylcholine receptor M1P08482Chrm1Rattus norvegicus (Rat)460
87080Muscarinic acetylcholine receptor M2P10980Chrm2Rattus norvegicus (Rat)466
87079Muscarinic acetylcholine receptor M3P08483Chrm3Rattus norvegicus (Rat)589

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