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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

NameCHEMBL2010853
Molecular formulaC23H25F2N3O3S2
IUPAC nameN-[(3S,4R)-3-fluoro-1-[(5-fluoro-1,3-benzothiazol-2-yl)methyl]piperidin-4-yl]-N-methyl-2-(4-methylsulfonylphenyl)acetamide
Molecular weight493.588
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP3.3
SynonymsBDBM50379159
Inchi KeyBKCLNIGTOQSNPO-AZUAARDMSA-N
Inchi IDInChI=1S/C23H25F2N3O3S2/c1-27(23(29)11-15-3-6-17(7-4-15)33(2,30)31)20-9-10-28(13-18(20)25)14-22-26-19-12-16(24)5-8-21(19)32-22/h3-8,12,18,20H,9-11,13-14H2,1-2H3/t18-,20+/m0/s1
PubChem CID70687332
ChEMBLCHEMBL2010853
IUPHARN/A
BindingDB50379159
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
25662Glucose-dependent insulinotropic receptorQ8TDV5GPR119Homo sapiens (Human)335

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