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Target
Acetyl-CoA acetyltransferase/HMG-CoA reductase
Ligand
BDBM42076
Substrate
n/a
Meas. Tech.
High Throughput Screen to Identify Compounds that Inhibit Class II HMG-CoA Reductases - Confirmatory Screen
IC50
90970±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:
BDBM42076
Synonyms:
4-[[1-(2-chlorobenzyl)indol-3-yl]-(3-keto-5-methyl-3-pyrazolin-4-yl)methyl]-5-methyl-3-pyrazolin-3-one | 4-[[1-[(2-chlorophenyl)methyl]-3-indolyl]-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one | 4-[[1-[(2-chlorophenyl)methyl]indol-3-yl]-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one | 4-[[1-[(2-chlorophenyl)methyl]indol-3-yl]-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one | MLS000548709 | SMR000172336 | cid_3154666
Type:
Small organic molecule
Emp. Form.:
C24H22ClN5O2
Mol. Mass.:
447.917
SMILES:
Cc1[nH][nH]c(=O)c1C(c1cn(Cc2ccccc2Cl)c2ccccc12)c1c(C)[nH][nH]c1=O
Structure:
Search PDB for entries with ligand similarity: