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Inhibitor Report for: 5ALZ-XQ9

IC50 6 nM


General
Type Urea derivative, Adamantyl, Piperidine, Sulfur Compound, Sulfonyl, Sulfonamide
Chemical_Nomenclature 1-(1-adamantyl)-3-(1-methylsulfonylpiperidin-4-yl)urea
Canonical SMILES CS(=O)(=O)N1CCC(CC1)NC(=O)NC23CC4CC(C2)CC(C4)C3
InChI InChI=1S/C17H29N3O3S/c1-24(22,23)20-4-2-15(3-5-20)18-16(21)19-17-9-12-6-13(10-17)8-14(7-12)11-17/h12-15H,2-11H2,1H3,(H2,18,19,21)
InChIKey DBPGHZGPUBWOQS-UHFFFAOYSA-N
Other name(s) CHEMBL1668935 ; SCHEMBL3213643 ; BDBM100435 ; BDBM50335966
________________________________________________________________________________________________
MW|355.5
Formula|C17H29N3O3S
CAS_number|
PubChem|24871512
UniChem|DBPGHZGPUBWOQS-UHFFFAOYSA-N
IUPHAR|
Wikipedia|

Target
Families | 5ALZ-XQ9 ligand of proteins in family: Epoxide_hydrolase
Stucture | 1 structure: 5ALZ: ligand complex structure of soluble epoxide hydrolase
Protein | human-EPHX2

References:
Search PubMed for references concerning: 5ALZ-XQ9
    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