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Ligand

NameCHEMBL2113099
Molecular formulaC21H16N2O2
IUPAC name2-[3-(2-pyridin-2-ylethynyl)cyclohex-2-en-1-yl]isoindole-1,3-dione
Molecular weight328.371
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP2.9
SynonymsBDBM50410444
Inchi KeyAJBNCPAXQVKUKD-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H16N2O2/c24-20-18-9-1-2-10-19(18)21(25)23(20)17-8-5-6-15(14-17)11-12-16-7-3-4-13-22-16/h1-4,7,9-10,13-14,17H,5-6,8H2
PubChem CID71459940
ChEMBLCHEMBL2113099
IUPHARN/A
BindingDB50410444
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
6750Metabotropic glutamate receptor 5P31424Grm5Rattus norvegicus (Rat)1203
6751Metabotropic glutamate receptor 5P41594GRM5Homo sapiens (Human)1212

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