ZINC1603176-7WI-4C4Y
General
Type : Urea derivative
Chemical_Nomenclature : 1-(3-chlorophenyl)-3-(2-methoxyethyl)urea
Canonical SMILES : COCCNC(=O)NC1=CC(=CC=C1)Cl
InChI : InChI=1S\/C10H13ClN2O2\/c1-15-6-5-12-10(14)13-9-4-2-3-8(11)7-9\/h2-4,7H,5-6H2,1H3,(H2,12,13,14)
InChIKey : OCWOGWHGSTYVMJ-UHFFFAOYSA-N
Other name(s) : N-(3-chlorophenyl)-N'-(2-methoxyethyl)urea,NSC508674,ZINC1603176,AKOS002954353,Compound A4,7WI
MW : 228.67
Formula : C10H13ClN2O2
CAS_number : 197502-29-7
PubChem : 350221
UniChem : OCWOGWHGSTYVMJ-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : ZINC1603176-7WI-4C4Y ligand of proteins in family: Epoxide_hydrolase
Stucture : 4C4Y Crystal structure of human bifunctional epoxide hydroxylase 2 complexed with A4
Protein : human-EPHX2
References (1)
| Title : A combination of spin diffusion methods for the determination of protein-ligand complex structural ensembles - Pilger_2015_Angew.Chem.Int.Ed.Engl_54_6511 |
| Author(s) : Pilger J , Mazur A , Monecke P , Schreuder H , Elshorst B , Bartoschek S , Langer T , Schiffer A , Krimm I , Wegstroth M , Lee D , Hessler G , Wendt KU , Becker S , Griesinger C |
| Ref : Angew Chem Int Ed Engl , 54 :6511 , 2015 |
| Abstract : Pilger_2015_Angew.Chem.Int.Ed.Engl_54_6511 |
| ESTHER : Pilger_2015_Angew.Chem.Int.Ed.Engl_54_6511 |
| PubMedSearch : Pilger_2015_Angew.Chem.Int.Ed.Engl_54_6511 |
| PubMedID: 25877959 |
| Gene_locus related to this paper: human-EPHX2 |