SCHEMBL3454366-Isobutyryl
General
Type : Piperidine, Urea derivative
Chemical_Nomenclature : 1-(1-isobutyrylpiperidin-4-yl)-3-(4-isopropylphenyl)urea
Canonical SMILES : C1(=CC=C(C=C1)NC(=O)NC2CCN(CC2)C(=O)C(C)C)C(C)C
InChI : InChI=1S\/C19H29N3O2\/c1-13(2)15-5-7-16(8-6-15)20-19(24)21-17-9-11-22(12-10-17)18(23)14(3)4\/h5-8,13-14,17H,9-12H2,1-4H3,(H2,20,21,24)
InChIKey : MALPCNVBYQZVGN-UHFFFAOYSA-N
Other name(s) :
Target
Families : SCHEMBL3454366-Isobutyryl ligand of proteins in family
Epoxide_hydrolase
Protein :
human-EPHX2
References (1)
| Title : How Robust Is the Ligand Binding Transition State? - Bose_2023_J.Am.Chem.Soc__ |
| Author(s) : Bose S , Lotz SD , Deb I , Shuck M , Lee KSS , Dickson A |
| Ref : Journal of the American Chemical Society , : , 2023 |
| Abstract : |
| PubMedSearch : Bose_2023_J.Am.Chem.Soc__ |
| PubMedID: 37943667 |
| Gene_locus related to this paper: human-EPHX2 |