Diphenylurea
IC50: 93 nM human-EPHX2
General
Type : Urea derivative
Chemical_Nomenclature : 1,3-diphenylurea
Canonical SMILES : C1=CC=C(C=C1)NC(=O)NC2=CC=CC=C2
InChI : InChI=1S\/C13H12N2O\/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12\/h1-10H,(H2,14,15,16)
InChIKey : GWEHVDNNLFDJLR-UHFFFAOYSA-N
Other name(s) : BSU, 1,3-Diphenylurea, N,N'-Diphenylurea, CARBANILIDE, Diphenylcarbamide, CHEBI:41320, CHEMBL354676
MW : 212.24
Formula : C13H12N2O
CAS_number : 102-07-8
PubChem : 7595
UniChem : GWEHVDNNLFDJLR-UHFFFAOYSA-N
Target
Families : Diphenylurea ligand of proteins in family
Epoxide_hydrolase
Protein :
myctu-ephB
myct3-g7cf24
human-EPHX2
References (4)
| Title : The crystal structure of mycobacterial epoxide hydrolase A - Schulz_2020_Sci.Rep_10_16539 |
| Author(s) : Schulz EC , Henderson SR , Illarionov B , Crosskey T , Southall SM , Krichel B , Uetrecht C , Fischer M , Wilmanns M |
| Ref : Sci Rep , 10 :16539 , 2020 |
| PubMedID: 33024154 |
| Gene_locus related to this paper: myct3-g7cf24 |
| Title : Successful generation of structural information for fragment-based drug discovery - Oster_2015_Drug.Discov.Today_20_1104 |
| Author(s) : Oster L , Tapani S , Xue Y , Kack H |
| Ref : Drug Discov Today , 20 :1104 , 2015 |
| PubMedID: 25931264 |
| Gene_locus related to this paper: human-EPHX2 |
| Title : The molecular structure of epoxide hydrolase B from Mycobacterium tuberculosis and its complex with a urea-based inhibitor - Biswal_2008_J.Mol.Biol_381_897 |
| Author(s) : Biswal BK , Morisseau C , Garen G , Cherney MM , Garen C , Niu C , Hammock BD , James MN |
| Ref : Journal of Molecular Biology , 381 :897 , 2008 |
| PubMedID: 18585390 |
| Gene_locus related to this paper: myctu-ephB |
| Title : Cloning, expression, purification, crystallization and preliminary X-ray studies of epoxide hydrolases A and B from Mycobacterium tuberculosis - Biswal_2006_Acta.Crystallogr.Sect.F.Struct.Biol.Cryst.Commun_62_136 |
| Author(s) : Biswal BK , Garen G , Cherney MM , Garen C , James MN |
| Ref : Acta Crystallographica Sect F Struct Biol Cryst Commun , 62 :136 , 2006 |
| PubMedID: 16511284 |
| Gene_locus related to this paper: myctu-ephB |