CHEMBL3233609-S0K-3WKD
not really a good inhibitor IC50: 1.71e+5 (nM) using PHOME as substrate
General
Type : Carboxamide,Sulfur Compound,Morpholine
Chemical_Nomenclature : N-(2-morpholin-4-ylphenyl)thiophene-3-carboxamide
Canonical SMILES : C1COCCN1C2=CC=CC=C2NC(=O)C3=CSC=C3
InChI : InChI=1S\/C15H16N2O2S\/c18-15(12-5-10-20-11-12)16-13-3-1-2-4-14(13)17-6-8-19-9-7-17\/h1-5,10-11H,6-9H2,(H,16,18)
InChIKey : SULRJGWRXWPTDW-UHFFFAOYSA-N
Other name(s) : S0K,N-[2-(morpholin-4-yl)phenyl]thiophene-3-carboxamide,CHEMBL3233609,Oprea1_512225,ZINC153993
MW : 288.4
Formula : C15H16N2O2S
CAS_number :
PubChem : 2813415
UniChem : SULRJGWRXWPTDW-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : CHEMBL3233609-S0K-3WKD ligand of proteins in family: Epoxide_hydrolase
Stucture : 3WKD Crystal structure of soluble epoxide hydrolase in complex with fragment inhibitor 5
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 |