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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

NameCHEMBL48366
Molecular formulaC14H13ClN2
IUPAC name8-chloro-2-pyridin-4-yl-3,4-dihydro-1H-isoquinoline
Molecular weight244.722
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP3.1
SynonymsBDBM50127821
SCHEMBL6440739
8-Chloro-2-pyridin-4-yl-1,2,3,4-tetrahydro-isoquinoline
Inchi KeyAGCMMQLWZZLYDX-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H13ClN2/c15-14-3-1-2-11-6-9-17(10-13(11)14)12-4-7-16-8-5-12/h1-5,7-8H,6,9-10H2
PubChem CID22605922
ChEMBLCHEMBL48366
IUPHARN/A
BindingDB50127821
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
4762Muscarinic acetylcholine receptor M1P08482Chrm1Rattus norvegicus (Rat)460

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