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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

NameCHEMBL302604
Molecular formulaC24H31N7O3
IUPAC name4-amino-N-[2-[4-[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]piperazin-1-yl]ethyl]butanamide
Molecular weight465.558
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP-1.2
Synonyms4-Amino-N-(2-(4-[2-oxo-2-(6-oxo-5,6-dihydro-11H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]-1-piperazinyl)ethyl)butanamide #
AINOAUBSOCDMCN-UHFFFAOYSA-N
5,11-Dihydro-11-[4-[2-(N-[4-amino-1-oxobutyl]amino)ethyl]-1-[4-piperazin-1-yl(acetyl)]pyrido[2,3-b][1,4]benzodiazepin-6-one
4-Amino-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)-butyramide
BDBM50012342
[ Show all ]
Inchi KeyAINOAUBSOCDMCN-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H31N7O3/c25-9-3-8-21(32)26-11-12-29-13-15-30(16-14-29)17-22(33)31-20-7-2-1-5-18(20)24(34)28-19-6-4-10-27-23(19)31/h1-2,4-7,10H,3,8-9,11-17,25H2,(H,26,32)(H,28,34)
PubChem CID542182
ChEMBLCHEMBL302604
IUPHARN/A
BindingDB50012342
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
6383Muscarinic acetylcholine receptor M1P08482Chrm1Rattus norvegicus (Rat)460
6384Muscarinic acetylcholine receptor M2P10980Chrm2Rattus norvegicus (Rat)466
6385Muscarinic acetylcholine receptor M3P08483Chrm3Rattus norvegicus (Rat)589

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