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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

NameCHEMBL2112432
Molecular formulaC24H27N5O
IUPAC name9-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1,9,12,17-tetrazatetracyclo[9.7.0.02,7.013,18]octadeca-2,4,6,11,13(18),14,16-heptaen-8-one
Molecular weight401.514
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP3.1
SynonymsBDBM50450972
Inchi KeyGRHLUCFHEZMWMY-FXAWDEMLSA-N
Inchi IDInChI=1S/C24H27N5O/c30-24-18-8-1-2-11-21(18)29-22(26-19-9-5-12-25-23(19)29)16-28(24)15-17-7-6-14-27-13-4-3-10-20(17)27/h1-2,5,8-9,11-12,17,20H,3-4,6-7,10,13-16H2/t17-,20+/m0/s1
PubChem CID53853235
ChEMBLCHEMBL2112432
IUPHARN/A
BindingDB50450972
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
103382Muscarinic acetylcholine receptor M1P08482Chrm1Rattus norvegicus (Rat)460
103383Muscarinic acetylcholine receptor M2P10980Chrm2Rattus norvegicus (Rat)466
103381Muscarinic acetylcholine receptor M3P08483Chrm3Rattus norvegicus (Rat)589

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