5ALP-QYD
IC50 <86 nM
General
Type : Carboxamide, Sulfur Compound, Thiomorpholine, pNP, Morpholine
Chemical_Nomenclature : (2S)-N-(4-nitrophenyl)-2-phenylthiomorpholine-4-carboxamide
Canonical SMILES : C1CSC(CN1C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3
InChI : InChI=1S\/C17H17N3O3S\/c21-17(18-14-6-8-15(9-7-14)20(22)23)19-10-11-24-16(12-19)13-4-2-1-3-5-13\/h1-9,16H,10-12H2,(H,18,21)\/t16-\/m1\/s1
InChIKey : PNYRURHCCDDZLP-MRXNPFEDSA-N
Other name(s) : N-(4-Nitrophenyl)-2-Phenyl-Thiomorpholine-4-Carboxamide || N-(p-Nitrophenyl)-2-Phenyl-Thiomorpholine-4-Carboxamide || Q27464800 || QYD
MW : 343.4
Formula : C17H17N3O3S
CAS_number :
PubChem : 91754981
UniChem : PNYRURHCCDDZLP-MRXNPFEDSA-N
Target
Families : 5ALP-QYD ligand of proteins in family
Epoxide_hydrolase
Structure :
5ALP
Protein :
human-EPHX2
References (1)
| 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 |
| Abstract : |
| PubMedSearch : Oster_2015_Drug.Discov.Today_20_1104 |
| PubMedID: 25931264 |
| Gene_locus related to this paper: human-EPHX2 |