ZINC395065-W9L-4C4Z
General
Type : Urea derivative,Naphthalen
Chemical_Nomenclature : 1-ethyl-3-naphthalen-1-ylurea
Canonical SMILES : CCNC(=O)NC1=CC=CC2=CC=CC=C21
InChI : InChI=1S\/C13H14N2O\/c1-2-14-13(16)15-12-9-5-7-10-6-3-4-8-11(10)12\/h3-9H,2H2,1H3,(H2,14,15,16)
InChIKey : SMNYGFHWZXVHCR-UHFFFAOYSA-N
Other name(s) : 1-ethyl-3-naphthalen-1-ylurea,1-(1-Naphthyl)-3-ethylurea,N-ethyl-N'-(1-naphthyl)urea,SCHEMBL13480552,ZINC395065,W9L
MW : 214.26
Formula : C13H14N2O
CAS_number :
PubChem : 5129204
UniChem : SMNYGFHWZXVHCR-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : ZINC395065-W9L-4C4Z ligand of proteins in family: Epoxide_hydrolase
Stucture : 4C4Z Crystal structure of human bifunctional epoxide hydroxylase 2 complexed with A8
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 |