Reaction Details Report a problem with these data
Target
Acetyl-CoA acetyltransferase/HMG-CoA reductase
Ligand
BDBM4078
Substrate
n/a
Meas. Tech.
High Throughput Screen to Identify Compounds that Inhibit Class II HMG-CoA Reductases - Confirmatory Screen
IC50
1265390±n/a nM
Citation
 PubChem, PC High Throughput Screen to Identify Compounds that Inhibit Class II HMG-CoA Reductases - Confirmatory Screen PubChem Bioassay (2008)[AID] 
Target
Name:
Acetyl-CoA acetyltransferase/HMG-CoA reductase
Synonyms:
n/a
Type:
Enzyme Catalytic Domain
Mol. Mass.:
86478.36
Organism:
Enterococcus faecalis
Description:
gi_9937384
Residue:
803
Sequence:
MKTVVIIDALRTPIGKYKGSLSQVSAVDLGTHVTTQLLKRHSTISEEIDQVIFGNVLQAGNGQNPARQIAINSGLSHEIPAMTVNEVCGSGMKAVILAKQLIQLGEAEVLIAGGIENMSQAPKLQRFNYETESYDAPFSSMMYDGLTDAFSGQAMGLTAENVAEKYHVTREEQDQFSVHSQLKAAQAQAEGIFADEIAPLEVSGTLVEKDEGIRPNSSVEKLGTLKTVFKEDGTVTAGNASTINDGASALIIASQEYAEAHGLPYLAIIRDSVEVGIDPAYMGISPIKAIQKLLARNQLTTEEIDLYEINEAFAATSIVVQRELALPEEKVNIYGGGISLGHAIGATGARLLTSLSYQLNQKEKKYGVASLCIGGGLGLAMLLERPQQKKNSRFYQMSPEERLASLLNEGQISADTKKEFENTALSSQIANHMIENQISETEVPMGVGLHLTVDETDYLVPMATEEPSVIAALSNGAKIAQGFKTVNQQRLMRGQIVFYDVADAESLIDELQVRETEIFQQAELSYPSIVKRGGGLRDLQYRAFDESFVSVDFLVDVKDAMGANIVNAMLEGVAELFREWFAEQKILFSILSNYATESVVTMKTAIPVSRLSKGSNGREIAEKIVLASRYASLDPYRAVTHNKGIMNGIEAVVLATGNDTRAVSASCHAFAVKEGRYQGLTSWTLDGEQLIGEISVPLALATVGGATKVLPKSQAAADLLAVTDAKELSRVVAAVGLAQNLAALRALVSEGIQKGHMALQARSLAMTVGATGKEVEAVAQQLKRQKTMNQDRALAILNDLRKQ
  
Inhibitor
Name:
BDBM4078
Synonyms:
Elagic Acid | CHEMBL6246 | 6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0^{4,16}.0^{11,15}]hexadeca-1(14),4(16),5,7,11(15),12-hexaene-3,10-dione | SMR000058244 | MLS000069632 | ELLAGIC ACID | cid_5281855 | Ellagic acid dihydrate | Ellagic acid (18)
Type:
Small organic molecule
Emp. Form.:
C14H6O8
Mol. Mass.:
302.01
SMILES:
c1c2c-3c(c(c1O)O)OC(=O)c4c3c(c(c(c4)O)O)OC2=O
Structure:
Search PDB for entries with ligand similarity: