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Substrate Report for: HOPDA-3,10-DiF

General
Type Ketone
Chemical_Nomenclature (2Z,4E)-3-fluoro-6-(4-fluorophenyl)-2-hydroxy-6-oxohexa-2,4-dienoic acid
Canonical SMILES C1=CC(=CC=C1C(=O)C=CC(=C(C(=O)O)O)F)F
InChI InChI=1S/C12H8F2O4/c13-8-3-1-7(2-4-8)10(15)6-5-9(14)11(16)12(17)18/h1-6,16H,(H,17,18)/b6-5+,11-9-
InChIKey CPZFGNOKCMJZFO-BTHQEHEQSA-N
Other name(s) 3-Fluoro-6-(4-Fluorophenyl)-2-Hydroxy-6-Oxohexa-2,4-Dienoic Acid ; DB07510 ; (2Z,4E)-3-fluoro-6-(4-fluorophenyl)-2-hydroxy-6-oxohexa-2,4-dienoic acid ; C0E
________________________________________________________________________________________________
MW|254.18
Formula|C12H8F2O4
CAS_number|
PubChem|23636976
UniChem|CPZFGNOKCMJZFO-BTHQEHEQSA-N
IUPHAR|
Wikipedia|

Target
Families | HOPDA-3,10-DiF ligand of proteins in family: Carbon-carbon_bond_hydrolase
Stucture | 1 structure: 2RHW: Crystal Structure of the S112A mutant of a C-C hydrolase, BphD from Burkholderia xenovorans LB400, in complex with 3,10-Di-Fluoro HOPDA
Protein | burxl-bphD

References:
Search PubMed for references concerning: HOPDA-3,10-DiF
    Title: The molecular basis for inhibition of BphD, a C-C bond hydrolase involved in polychlorinated biphenyls degradation: large 3-substituents prevent tautomerization
    Bhowmik S, Horsman GP, Bolin JT, Eltis LD
    Ref: Journal of Biological Chemistry, 282:36377, 2007 : PubMed