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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 CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

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Ligand

NameCHEMBL3422867
Molecular formulaC22H20FN5O2S
IUPAC nameN-[3-cyano-6-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-fluorobenzamide
Molecular weight437.493
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP4.0
SynonymsN/A
Inchi KeyAYTDGMQXZLONQR-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H20FN5O2S/c1-12(2)17-9-18(27-26-17)22(30)28-8-7-15-16(10-24)21(31-19(15)11-28)25-20(29)13-3-5-14(23)6-4-13/h3-6,9,12H,7-8,11H2,1-2H3,(H,25,29)(H,26,27)
PubChem CID118735951
ChEMBLCHEMBL3422867
IUPHARN/A
BindingDBN/A
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
442371Metabotropic glutamate receptor 1Q13255GRM1Homo sapiens (Human)1194
442370Metabotropic glutamate receptor 5P41594GRM5Homo sapiens (Human)1212

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