Target
3-hydroxy-3-methylglutaryl-coenzyme A reductase
Ligand
BDBM50215691
Substrate
n/a
Meas. Tech.
ChEMBL_456534 (CHEMBL922900)
IC50
1.5±n/a nM
Citation
 Pfefferkorn, JASong, YSun, KLMiller, SRTrivedi, BKChoi, CSorenson, RJBratton, LDUnangst, PCLarsen, SDPoel, TJCheng, XMLee, CErasga, NAuerbach, BAskew, VDillon, LHanselman, JCLin, ZLu, GRobertson, AOlsen, KMertz, TSekerke, CPavlovsky, AHarris, MSBainbridge, GCaspers, NChen, HEberstadt, M Design and synthesis of hepatoselective, pyrrole-based HMG-CoA reductase inhibitors. Bioorg Med Chem Lett 17:4538-44 (2007) [PubMed]  Article 
Target
Name:
3-hydroxy-3-methylglutaryl-coenzyme A reductase
Synonyms:
3-hydroxy-3-methylglutaryl-coenzyme A (HMG-CoA) reductase | 3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA) | HMDH_HUMAN | HMG-CoA Reductase | HMG-CoA reductase (HMGR) | HMGCR
Type:
Enzyme
Mol. Mass.:
97477.10
Organism:
Homo sapiens (Human)
Description:
P04035
Residue:
888
Sequence:
MLSRLFRMHGLFVASHPWEVIVGTVTLTICMMSMNMFTGNNKICGWNYECPKFEEDVLSSDIIILTITRCIAILYIYFQFQNLRQLGSKYILGIAGLFTIFSSFVFSTVVIHFLDKELTGLNEALPFFLLLIDLSRASTLAKFALSSNSQDEVRENIARGMAILGPTFTLDALVECLVIGVGTMSGVRQLEIMCCFGCMSVLANYFVFMTFFPACVSLVLELSRESREGRPIWQLSHFARVLEEEENKPNPVTQRVKMIMSLGLVLVHAHSRWIADPSPQNSTADTSKVSLGLDENVSKRIEPSVSLWQFYLSKMISMDIEQVITLSLALLLAVKYIFFEQTETESTLSLKNPITSPVVTQKKVPDNCCRREPMLVRNNQKCDSVEEETGINRERKVEVIKPLVAETDTPNRATFVVGNSSLLDTSSVLVTQEPEIELPREPRPNEECLQILGNAEKGAKFLSDAEIIQLVNAKHIPAYKLETLMETHERGVSIRRQLLSKKLSEPSSLQYLPYRDYNYSLVMGACCENVIGYMPIPVGVAGPLCLDEKEFQVPMATTEGCLVASTNRGCRAIGLGGGASSRVLADGMTRGPVVRLPRACDSAEVKAWLETSEGFAVIKEAFDSTSRFARLQKLHTSIAGRNLYIRFQSRSGDAMGMNMISKGTEKALSKLHEYFPEMQILAVSGNYCTDKKPAAINWIEGRGKSVVCEAVIPAKVVREVLKTTTEAMIEVNINKNLVGSAMAGSIGGYNAHAANIVTAIYIACGQDAAQNVGSSNCITLMEASGPTNEDLYISCTMPSIEIGTVGGGTNLLPQQACLQMLGVQGACKDNPGENARQLARIVCGTVMAGELSLMAALAAGHLVKSHMIHNRSKINLQDLQGACTKKTA
  
Inhibitor
Name:
BDBM50215691
Synonyms:
CHEMBL398239 | sodium (3R,5R)-7-(3-(4-fluorophenyl)-1-isopropyl-5-(((4-methylthiazol-2-yl)methyl)carbamoyl)-4-phenyl-1H-pyrrol-2-yl)-3,5-dihydroxyheptanoate
Type:
Small organic molecule
Emp. Form.:
C32H35FN3O5S
Mol. Mass.:
592.701
SMILES:
CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(c1C(=O)NCc1nc(C)cs1)-c1ccccc1)-c1ccc(F)cc1
Structure:
Search PDB for entries with ligand similarity: