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Inhibitor Report for: 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 | 1 structure: 3WKD: Crystal structure of soluble epoxide hydrolase in complex with fragment inhibitor 5
Protein | human-EPHX2

References:
Search PubMed for references concerning: CHEMBL3233609-S0K-3WKD
    Title: Structural insights into binding of inhibitors to soluble epoxide hydrolase gained by fragment screening and X-ray crystallography
    Amano Y, Yamaguchi T, Tanabe E
    Ref: Bioorganic & Medicinal Chemistry, 22:2427, 2014 : PubMed