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Inhibitor Report for: CHEMBL442384-S0E-3WK8

Name Class
CHEMBL442384-S0E-3WK8TypeBenzothiazol
Not A/B H target
Trifluoro
Sulfur Compound
Other_Name2-Amino-6-(trifluoromethyl)benzothiazole
6-(trifluoromethyl)benzo[d]thiazol-2-amine
2-amino-6-trifluoromethylbenzothiazole
Chemical_Nomenclature6-(trifluoromethyl)-1,3-benzothiazol-2-amine
FormulaC8H5F3N2S
CAS_number777-12-8
MW218.20
PaperAmano_2014_Bioorg.Med.Chem_22_2427
Chua_2007_Mol.Microbiol_65_347
Structure3WK8
CommentThis fragment compound alos kills human pathogen Candida albicans by a specific inhibitor of non-essential mitotic kinesin Kip1p.
not really a good inhibitor IC50: 4.90e+4 (nM) using PHOME as substrate
Gene_locushuman-EPHX2
CID2735955
FamilyEpoxide_hydrolase
InChIKeyWEDYEBJLWMPPOK-UHFFFAOYSA-N
CanonicalSMILESC1=CC2=C(C=C1C(F)(F)F)SC(=N2)N
InChIInChI=1S/C8H5F3N2S/c9-8(10,11)4-1-2-5-6(3-4)14-7(12)13-5/h1-3H,(H2,12,13)

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Mail to: Nicolas Lenfant, Thierry Hotelier, Yves Bourne, Pascale Marchot and Arnaud Chatonnet.
Please cite: Lenfant 2013 Nucleic.Acids.Res. or Marchot Chatonnet 2012 Prot.Pept Lett.
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