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Inhibitor Report for: BD1

BD1 is a natural carbonyl-containing bicyclic ring ligand forming a tetrahedral complex in the enzyme active site. It protects haloperoxidase from inhibition by PMSF


General
Type Benzodioxo
Chemical_Nomenclature (3aS,7aR)-3a,4,7,7a-tetrahydro-1,3-benzodioxol-2-ol
Canonical SMILES C1C=CCC2C1OC(O2)O
InChI InChI=1S/C7H10O3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-2,5-8H,3-4H2/t5-,6+,7?
InChIKey VYBGCFNFGGLKAA-MEKDEQNOSA-N
Other name(s) AC1NRA7Q ; (3aS,7aR)-3a,4,7,7a-tetrahydro-1,3-benzodioxol-2-ol
________________________________________________________________________________________________
MW|142.15
Formula|C7H10O3
CAS_number|
PubChem|5287746
UniChem|VYBGCFNFGGLKAA-MEKDEQNOSA-N
IUPHAR|
Wikipedia|

Target
Families | BD1 ligand of proteins in family: Haloperoxidase
Stucture | 1 structure: 1HL7: Crystal Structure of Gamma Lactamase from Aureobacterium In Complex With 3A,4,7,7A-Tetrahydro-Benzo [1,3] Dioxol-2-One
Protein | uncmi-Q8GJP7

References:
Search PubMed for references concerning: BD1
    Title: The crystal structure of a (-) gamma-lactamase from an Aureobacterium species reveals a tetrahedral intermediate in the active site
    Line K, Isupov MN, Littlechild JA
    Ref: Journal of Molecular Biology, 338:519, 2004 : PubMed