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Target
Acetyl-CoA acetyltransferase/HMG-CoA reductase
Ligand
BDBM42077
Substrate
n/a
Meas. Tech.
High Throughput Screen to Identify Compounds that Inhibit Class II HMG-CoA Reductases - Confirmatory Screen
IC50
164090±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:
BDBM42077
Synonyms:
4-({[(2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)thio]acetyl}amino)benzoic acid | 4-[2-[(2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)sulfanyl]ethanoylamino]benzoic acid | 4-[[1-oxo-2-[(2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl)thio]ethyl]amino]benzoic acid | 4-[[2-[(2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)sulfanyl]acetyl]amino]benzoic acid | 4-[[2-[(2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)thio]acetyl]amino]benzoic acid | MLS000673043 | SMR000314284 | cid_2150415
Type:
Small organic molecule
Emp. Form.:
C26H19N3O4S
Mol. Mass.:
469.512
SMILES:
OC(=O)c1ccc(NC(=O)CSc2nc(nc3Oc4ccccc4Cc23)-c2ccccc2)cc1
Structure:
Search PDB for entries with ligand similarity: