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Inhibitor Report for: PETFP

General
Type Trifluoro, Sulfur Compound
Chemical_Nomenclature (2S)-1,1,1-trifluoro-3-(2-phenylethylsulfanyl)propan-2-ol
Canonical SMILES C1=CC=C(C=C1)CCSCC(C(F)(F)F)O
InChI InChI=1S/C11H13F3OS/c12-11(13,14)10(15)8-16-7-6-9-4-2-1-3-5-9/h1-5,10,15H,6-8H2/t10-/m1/s1
InChIKey QUKGDZLJCRLNHA-SNVBAGLBSA-N UJAGOKUXPHIFEB-UHFFFAOYSA-N
Other name(s) HZH ; 1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan-2-one ; 3-phenethylthio-1,1,1-trifluoropropan-2-one ; CHEMBL460809 ; CTK1A9022 ; DTXSID50659522 ; BDBM50412689
________________________________________________________________________________________________
MW|250.27
Formula|C11H13F3OS
CAS_number|382616-71-9
PubChem|25049747, 44569911
UniChem|QUKGDZLJCRLNHA-SNVBAGLBSA-N, UJAGOKUXPHIFEB-UHFFFAOYSA-N
IUPHAR|
Wikipedia|

Target
Families | PETFP ligand of proteins in family: Cutinase
Stucture | 1 structure: 3DEA: Glomerella cingulata PETFP-cutinase complex
Protein | colgl-cutas

References:
Search PubMed for references concerning: PETFP
    Title: Catalysis by Glomerella cingulata cutinase requires conformational cycling between the active and inactive states of its catalytic triad
    Nyon MP, Rice DW, Berrisford JM, Hounslow AM, Moir AJ, Huang H, Nathan S, Mahadi NM, Bakar FD, Craven CJ
    Ref: Journal of Molecular Biology, 385:226, 2009 : PubMed

            

    Title: Crystallization and preliminary X-ray analysis of recombinant Glomerella cingulata cutinase
    Nyon MP, Rice DW, Berrisford JM, Huang H, Moir AJ, Craven CJ, Nathan S, Mahadi NM, Abu Bakar FD
    Ref: Acta Crystallographica Sect F Struct Biol Cryst Commun, 64:504, 2008 : PubMed