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Inhibitor Report for: 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
IUPHAR|
Wikipedia|

Target
Families | 5ALP-QYD ligand of proteins in family: Epoxide_hydrolase
Stucture | 1 structure: 5ALP: ligand complex structure of soluble epoxide hydrolase
Protein | human-EPHX2

References:
Search PubMed for references concerning: 5ALP-QYD
    Title: Successful generation of structural information for fragment-based drug discovery
    Oster L, Tapani S, Xue Y, Kack H
    Ref: Drug Discov Today, 20:1104, 2015 : PubMed