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Inhibitor Report for: ZINC527968-S0B-3WK6

not really a good inhibitor IC50: 6300 (nM) using PHOME as substrate


General
Type Sulfur Compound
Chemical_Nomenclature (5R)-5-methyl-N-(2-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine
Canonical SMILES CC1CN=C(S1)NCCC2=CC=CC=C2
InChI InChI=1S/C12H16N2S/c1-10-9-14-12(15-10)13-8-7-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,13,14)/t10-/m1/s1
InChIKey CGXLCYZPSOHWJJ-SNVBAGLBSA-N
Other name(s) ZINC527968 ; Q27465192
________________________________________________________________________________________________
MW|220.34
Formula|C12H16N2S
CAS_number|
PubChem|934585
UniChem|CGXLCYZPSOHWJJ-SNVBAGLBSA-N
IUPHAR|
Wikipedia|

Target
Families | ZINC527968-S0B-3WK6 ligand of proteins in family: Epoxide_hydrolase
Stucture | 1 structure: 3WK6: Crystal structure of soluble epoxide hydrolase in complex with fragment inhibitor 8
Protein | human-EPHX2

References:
Search PubMed for references concerning: ZINC527968-S0B-3WK6
    Title: Structural insights into binding of inhibitors to soluble epoxide hydrolase gained by fragment screening and X-ray crystallography
    Amano Y, Yamaguchi T, Tanabe E
    Ref: Bioorganic & Medicinal Chemistry, 22:2427, 2014 : PubMed