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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

NameCHEMBL305403
Molecular formulaC28H31N7O3
IUPAC nameN-(2-aminoethyl)-4-[[4-[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]piperazin-1-yl]methyl]benzamide
Molecular weight513.602
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP-0.1
SynonymsN-(2-Amino-ethyl)-4-{4-[2-oxo-2-(6-oxo-5,6-dihydro-benzo[e]pyrido[3,2-b][1,4]diazepin-11-yl)-ethyl]-piperazin-1-ylmethyl}-benzamide
5,11-Dihydro-11-[[4-[4-(2-aminoethylaminocarbonyl)benzyl]-1-piperazinyl]acetyl]-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one
BDBM50012363
Inchi KeyBMFWWGQJIXNFNW-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H31N7O3/c29-11-13-31-27(37)21-9-7-20(8-10-21)18-33-14-16-34(17-15-33)19-25(36)35-24-6-2-1-4-22(24)28(38)32-23-5-3-12-30-26(23)35/h1-10,12H,11,13-19,29H2,(H,31,37)(H,32,38)
PubChem CID15050948
ChEMBLCHEMBL305403
IUPHARN/A
BindingDB50012363
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
27435Muscarinic acetylcholine receptor M1P08482Chrm1Rattus norvegicus (Rat)460
27437Muscarinic acetylcholine receptor M2P10980Chrm2Rattus norvegicus (Rat)466
27434Muscarinic acetylcholine receptor M3P08483Chrm3Rattus norvegicus (Rat)589
27436Muscarinic acetylcholine receptor M4P08485Chrm4Rattus norvegicus (Rat)478

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