CHEMBL442384-S0E-3WK8

This 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

General

Type : Benzothiazol, Not A\/B H target, Trifluoro, Sulfur Compound

Chemical_Nomenclature : 6-(trifluoromethyl)-1,3-benzothiazol-2-amine

Canonical SMILES : C1=CC2=C(C=C1C(F)(F)F)SC(=N2)N

InChI : InChI=1S\/C8H5F3N2S\/c9-8(10,11)4-1-2-5-6(3-4)14-7(12)13-5\/h1-3H,(H2,12,13)

InChIKey : WEDYEBJLWMPPOK-UHFFFAOYSA-N

Other name(s) : 2-Amino-6-(trifluoromethyl)benzothiazole  ||  6-(trifluoromethyl)benzo[d]thiazol-2-amine  ||  2-amino-6-trifluoromethylbenzothiazole


MW : 218.20

Formula : C8H5F3N2S

CAS_number : 777-12-8

PubChem : 2735955

UniChem : WEDYEBJLWMPPOK-UHFFFAOYSA-N

Target

Families : CHEMBL442384-S0E-3WK8 ligand of proteins in family
Epoxide_hydrolase

Structure :
3WK8

Protein :
human-EPHX2

References (2)

Title : Structural insights into binding of inhibitors to soluble epoxide hydrolase gained by fragment screening and X-ray crystallography - Amano_2014_Bioorg.Med.Chem_22_2427
Author(s) : Amano Y , Yamaguchi T , Tanabe E
Ref : Bioorganic & Medicinal Chemistry , 22 :2427 , 2014
Abstract :
PubMedSearch : Amano_2014_Bioorg.Med.Chem_22_2427
PubMedID: 24656800
Gene_locus related to this paper: human-EPHX2

Title : Effective killing of the human pathogen Candida albicans by a specific inhibitor of non-essential mitotic kinesin Kip1p - Chua_2007_Mol.Microbiol_65_347
Author(s) : Chua PR , Roof DM , Lee Y , Sakowicz R , Clarke D , Pierce D , Stephens T , Hamilton M , Morgan B , Morgans D , Nakai T , Tomasi A , Maxon ME
Ref : Molecular Microbiology , 65 :347 , 2007
Abstract :
PubMedSearch : Chua_2007_Mol.Microbiol_65_347
PubMedID: 17573815