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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

NameCHEMBL2409010
Molecular formulaC21H23N7OS
IUPAC nameN-[(1-methylimidazol-4-yl)methyl]-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-5-propylpyrazole-4-carboxamide
Molecular weight421.523
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP2.3
SynonymsBDBM50437423
Inchi KeySVVOUQZKBGAKJS-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H23N7OS/c1-4-6-17-16(20(29)22-10-15-12-27(3)13-24-15)11-25-28(17)21-23-9-14(2)19(26-21)18-7-5-8-30-18/h5,7-9,11-13H,4,6,10H2,1-3H3,(H,22,29)
PubChem CID72165164
ChEMBLCHEMBL2409010
IUPHARN/A
BindingDB50437423
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
324573Probable G-protein coupled receptor 142Q7Z601GPR142Homo sapiens (Human)462

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