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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

NameCHEMBL1169543
Molecular formulaC23H26N2O2
IUPAC name[(3R)-1-azabicyclo[2.2.2]octan-3-yl] (1R)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
Molecular weight362.473
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP4.0
SynonymsBDBM50370683
SCHEMBL1736633
ZINC11616188
Inchi KeyFBOUYBDGKBSUES-FCHUYYIVSA-N
Inchi IDInChI=1S/C23H26N2O2/c26-23(27-21-16-24-13-10-18(21)11-14-24)25-15-12-17-6-4-5-9-20(17)22(25)19-7-2-1-3-8-19/h1-9,18,21-22H,10-16H2/t21-,22+/m0/s1
PubChem CID11155732
ChEMBLCHEMBL1169543
IUPHARN/A
BindingDB50370683
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
74412Muscarinic acetylcholine receptor M1P08482Chrm1Rattus norvegicus (Rat)460
74411Muscarinic acetylcholine receptor M2P10980Chrm2Rattus norvegicus (Rat)466
74410Muscarinic acetylcholine receptor M3P08483Chrm3Rattus norvegicus (Rat)589

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