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 : 5ALH ligand complex structure of human soluble epoxide hydrolase
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 : Oster_2015_Drug.Discov.Today_20_1104 |
| ESTHER : Oster_2015_Drug.Discov.Today_20_1104 |
| PubMedSearch : Oster_2015_Drug.Discov.Today_20_1104 |
| PubMedID: 25931264 |
| Gene_locus related to this paper: human-EPHX2 |