CHEMBL3233607-S0G-3WKA
not really a good inhibitor IC50: 2.90e+4 (nM) using PHOME as substrate
General
Type : Piperidine,Pyrimidine
Chemical_Nomenclature : 6-amino-1-methyl-5-piperidin-1-ylpyrimidine-2,4-dione
Canonical SMILES : CN1C(=C(C(=O)NC1=O)N2CCCCC2)N
InChI : InChI=1S\/C10H16N4O2\/c1-13-8(11)7(9(15)12-10(13)16)14-5-3-2-4-6-14\/h2-6,11H2,1H3,(H,12,15,16)
InChIKey : ABFVQIXFKQQEOF-UHFFFAOYSA-N
Other name(s) : 6-amino-1-methyl-5-(piperidin-1-yl)-1,2,3,4-tetrahydropyrimidine-2,4-dione,6-Amino-1-Methyl-5-(Piperidin-1-Yl)pyrimidine-2,4(1h,3h)-Dione,CHEMBL3233607,S0G
MW : 224.26
Formula : C10H16N4O2
CAS_number :
PubChem : 2497562
UniChem : ABFVQIXFKQQEOF-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : CHEMBL3233607-S0G-3WKA ligand of proteins in family: Epoxide_hydrolase
Stucture : 3WKA Crystal structure of soluble epoxide hydrolase in complex with fragment inhibitor 2
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 |