ZINC10109382-S0A-3WK4
not really a good inhibitor IC50: 7400 (nM) using PHOME as substrate
General
Type : Urea derivative,Cyclopropyl
Chemical_Nomenclature : 1-[(1R)-1-cyclopropylethyl]-3-phenylurea
Canonical SMILES : CC(C1CC1)NC(=O)NC2=CC=CC=C2
InChI : InChI=1S\/C12H16N2O\/c1-9(10-7-8-10)13-12(15)14-11-5-3-2-4-6-11\/h2-6,9-10H,7-8H2,1H3,(H2,13,14,15)\/t9-\/m1\/s1
InChIKey : VBBOGUVAPQGDSX-SECBINFHSA-N
Other name(s) : S0A,ZINC10109382,Q27465193
MW : 204.27
Formula : C12H16N2O
CAS_number :
PubChem : 51473388
UniChem : VBBOGUVAPQGDSX-SECBINFHSA-N
IUPHAR :
Wikipedia :
Target
Families : ZINC10109382-S0A-3WK4 ligand of proteins in family: Epoxide_hydrolase
Stucture : 3WK4 Crystal structure of soluble epoxide hydrolase in complex with fragment inhibitor 6
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 |