CHEMBL3233608-S0J-3WKC
General
Type : Thiazolidine,Sulfur Compound
Chemical_Nomenclature : 4-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-1,3-thiazol-2-amine
Canonical SMILES : CC1=CC(=C(N1CC2CCCO2)C)C3=CSC(=N3)N
InChI : InChI=1S\/C14H19N3OS\/c1-9-6-12(13-8-19-14(15)16-13)10(2)17(9)7-11-4-3-5-18-11\/h6,8,11H,3-5,7H2,1-2H3,(H2,15,16)\/t11-\/m1\/s1
InChIKey : IUSOSUNODUAXAY-LLVKDONJSA-N
Other name(s) : 4-{2,5-Dimethyl-1-[(2r)-Tetrahydrofuran-2-Ylmethyl]-1h-Pyrrol-3-Yl}-1,3-Thiazol-2-Amine,ZINC3379242,Q27465197,S0J,CHEMBL3233608
MW : 277.39
Formula : C14H19N3OS
CAS_number :
PubChem : 2497363
UniChem : IUSOSUNODUAXAY-LLVKDONJSA-N
IUPHAR :
Wikipedia :
Target
Families : CHEMBL3233608-S0J-3WKC ligand of proteins in family: Epoxide_hydrolase
Stucture :
Protein : human-EPHX2
References (1)
| 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 : Amano_2014_Bioorg.Med.Chem_22_2427 |
| ESTHER : Amano_2014_Bioorg.Med.Chem_22_2427 |
| PubMedSearch : Amano_2014_Bioorg.Med.Chem_22_2427 |
| PubMedID: 24656800 |
| Gene_locus related to this paper: human-EPHX2 |