2-Amino-6-methylbenzothiazole
not a real inhibitor of sEH IC50 126 microM
General
Type : Fragment inhibitor of EPHX2, Benzothiazol, Sulfur Compound, Thiazole
Chemical_Nomenclature : 6-methyl-1,3-benzothiazol-2-amine
Canonical SMILES : CC1=CC2=C(C=C1)N=C(S2)N
InChI : InChI=1S\/C8H8N2S\/c1-5-2-3-6-7(4-5)11-8(9)10-6\/h2-4H,1H3,(H2,9,10)
InChIKey : DZWTXWPRWRLHIL-UHFFFAOYSA-N
Other name(s) : 6-Methyl-1,3-benzothiazol-2-amine || 6-methylbenzo[d]thiazol-2-amine || 2-Benzothiazolamine, 6-methyl- || 4VY || Compound 7 || SCHEMBL7535 || CHEMBL94512 || Maybridge1_001143
MW : 164.23
Formula : C8H8N2S
CAS_number : 2536-91-6
PubChem : 17335
UniChem : DZWTXWPRWRLHIL-UHFFFAOYSA-N
Target
Families : 2-Amino-6-methylbenzothiazole ligand of proteins in family
Epoxide_hydrolase
Protein :
human-EPHX2
References (2)
| Title : Exploring serial crystallography for drug discovery - Dunge_2024_IUCrJ__ |
| Author(s) : Dunge A , Phan C , Uwangue O , Bjelcic M , Gunnarsson J , Wehlander G , Kack H , Branden G |
| Ref : IUCrJ , : , 2024 |
| Abstract : |
| PubMedSearch : Dunge_2024_IUCrJ__ |
| PubMedID: 39072424 |
| Title : Successful generation of structural information for fragment-based drug discovery - Oster_2015_Drug.Discov.Today_20_1104 |
| Author(s) : Oster L , Tapani S , Xue Y , Kack H |
| Ref : Drug Discov Today , 20 :1104 , 2015 |
| Abstract : |
| PubMedSearch : Oster_2015_Drug.Discov.Today_20_1104 |
| PubMedID: 25931264 |
| Gene_locus related to this paper: human-EPHX2 |