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Inhibitor Report for: 5ALH-4UA

IC50 <86 nM


General
Type Sulfonamide, Carboxamide, Sulfur Compound, Piperidine, Sulfonyl
Chemical_Nomenclature 4-[[(2-methoxy-5-methylphenyl)sulfonylamino]methyl]-N-[(4-methylphenyl)methyl]-4-phenylpiperidine-1-carboxamide
Canonical SMILES CC1=CC=C(C=C1)CNC(=O)N2CCC(CC2)(CNS(=O)(=O)C3=C(C=CC(=C3)C)OC)C4=CC=CC=C4
InChI InChI=1S/C29H35N3O4S/c1-22-9-12-24(13-10-22)20-30-28(33)32-17-15-29(16-18-32,25-7-5-4-6-8-25)21-31-37(34,35)27-19-23(2)11-14-26(27)36-3/h4-14,19,31H,15-18,20-21H2,1-3H3,(H,30,33)
InChIKey ASTQWJGBKMEGSZ-UHFFFAOYSA-N
Other name(s) 4-[[(2-Methoxy-5-Methyl-Phenyl)sulfonylamino]methyl]-4-Phenyl-N-(P-Tolylmethyl)piperidine-1-Carboxamide ; Q27454993 ; 4UA
________________________________________________________________________________________________
MW|521.7
Formula|C29H35N3O4S
CAS_number|
PubChem|91754976
UniChem|ASTQWJGBKMEGSZ-UHFFFAOYSA-N
IUPHAR|
Wikipedia|

Target
Families | 5ALH-4UA ligand of proteins in family: Epoxide_hydrolase
Stucture | 1 structure: 5ALH: ligand complex structure of soluble epoxide hydrolase
Protein | human-EPHX2

References:
Search PubMed for references concerning: 5ALH-4UA
    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