ZINC527968-S0B-3WK6
not really a good inhibitor IC50: 6300 (nM) using PHOME as substrate
General
Type : Sulfur Compound
Chemical_Nomenclature : (5R)-5-methyl-N-(2-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine
Canonical SMILES : CC1CN=C(S1)NCCC2=CC=CC=C2
InChI : InChI=1S\/C12H16N2S\/c1-10-9-14-12(15-10)13-8-7-11-5-3-2-4-6-11\/h2-6,10H,7-9H2,1H3,(H,13,14)\/t10-\/m1\/s1
InChIKey : CGXLCYZPSOHWJJ-SNVBAGLBSA-N
Other name(s) : ZINC527968,Q27465192
MW : 220.34
Formula : C12H16N2S
CAS_number :
PubChem : 934585
UniChem : CGXLCYZPSOHWJJ-SNVBAGLBSA-N
IUPHAR :
Wikipedia :
Target
Families : ZINC527968-S0B-3WK6 ligand of proteins in family: Epoxide_hydrolase
Stucture : 3WK6 Crystal structure of soluble epoxide hydrolase in complex with fragment inhibitor 8
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 |