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Target
3-hydroxy-3-methylglutaryl-coenzyme A reductase
Ligand
BDBM50280661
Substrate
n/a
Meas. Tech.
ChEBML_78490
IC50
630±n/a nM
Citation
 Sit, SY; Parker, RA; Wright, JJ Synthesis of tetrazol-1-yl analogs of HMG-COA reductase inhibitor BMS180431 (formerly BMY21950) Bioorg Med Chem Lett 2:1085-1088 (1992)    Article
Target
Name:
3-hydroxy-3-methylglutaryl-coenzyme A reductase
Synonyms:
HMDH_MOUSE | HMG-CoA reductase | Hmgcr
Type:
PROTEIN
Mol. Mass.:
97040.20
Organism:
Mus musculus
Description:
ChEMBL_78490
Residue:
887
Sequence:
MLSRLFRMHGLFVASHPWEVIVGTVTLTICMMSMNMFTGNNKICGWNYECPKFEEDVLSSDIIILTITRCIAILYIYFQFQNLRQLGSKYILGIAGLFTIFSSFVFSTVVIHFLDKELTGLNEALPFFLLLIDLSRASALAKFALSSNSQDEVRENIARGMAILGPTFTLDALVECLVIGVGTMSGVRQLEIMCCFGCMSVLANYFVFMTFFPACVSLVLELSRESREGRPIWQLSHFARVLEEEENKPNPVTQRVKMIMSLGLVLVHAHSRWIADPSPQNSTAEQAKVSLGLDEDVSKRIEPSVSLWQFYLSKMISMDIEQVITLSLAFLLAVKYIFFEQAETESTLSLKNPITSPVVTSKKAQDNCCRREPLLVRRNQKLSSVEEDPGANQERKVEVIKPLVVEAETTSRATFVLGASVASPPSALGTQEPGIELPIEPRPNEECLQILENAEKGAKFLSDAEIIQLVNAKHIPAYKLETLMETHERGVSIRRQLLSTKLAEPSSLQYLPYRDYNYSLVMGACCENVIGYMPIPVGVAGPLCLDGKEYQVPMATTEGCLVASTNRGCRAISLGGGASSRVLADGMTRGPVVRLPRACDSAEVKTWLETPEGFAVIKEAFDSTSRFARLQKLHVTMAGRNLYIRFQSRTGDAMGMNMISKGTEKALLKLQEFFPDMQILAVSGNYCTDKKPAAINWIEGRGKTVVCEAVIPAKVVREVLKTTTEAMVDVNINKNLVGSAMAGSIGGYNAHAANIVTAIYIACGQDAAQNVGSSNCITLMEASGPTNEDLYISCTMPSIEIGTVGGGTNLLPQQACLQMLGVQGACKDNPGENARQLARIVCGTVMAGELSLMAALAAGHLVRSHMVHNRSKINLQDLQGTCTKKAA
  
Inhibitor
Name:
BDBM50280661
Synonyms:
CHEMBL276717 | Sodium; (E)-(3R,5S)-9,9-bis-(4-fluoro-phenyl)-3,5-dihydroxy-8-(5-methyl-tetrazol-1-yl)-nona-6,8-dienoate
Type:
Small organic molecule
Emp. Form.:
C23H21F2N4O4
Mol. Mass.:
455.4346
SMILES:
[#6]-c1nnnn1\[#6](\[#6]=[#6]\[#6@@H](-[#8])-[#6]-[#6@@H](-[#8])-[#6]-[#6](-[#8-])=O)=[#6](/c1ccc(F)cc1)-c1ccc(F)cc1
Structure:
Search PDB for entries with ligand similarity: