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Target
3-hydroxy-3-methylglutaryl-coenzyme A reductase
Ligand
BDBM50215705
Substrate
n/a
Meas. Tech.
ChEMBL_456534 (CHEMBL922900)
IC50
8.8±n/a nM
Citation
 Pfefferkorn, JA; Song, Y; Sun, KL; Miller, SR; Trivedi, BK; Choi, C; Sorenson, RJ; Bratton, LD; Unangst, PC; Larsen, SD; Poel, TJ; Cheng, XM; Lee, C; Erasga, N; Auerbach, B; Askew, V; Dillon, L; Hanselman, JC; Lin, Z; Lu, G; Robertson, A; Olsen, K; Mertz, T; Sekerke, C; Pavlovsky, A; Harris, MS; Bainbridge, G; Caspers, N; Chen, H; Eberstadt, 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:
BDBM50215705
Synonyms:
CHEMBL399771 | sodium (3R,5R)-7-(3-(4-fluorophenyl)-1-isopropyl-5-(methylcarbamoyl)-4-phenyl-1H-pyrrol-2-yl)-3,5-dihydroxyheptanoate
Type:
Small organic molecule
Emp. Form.:
C28H32FN2O5
Mol. Mass.:
495.563
SMILES:
CNC(=O)c1c(c(c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)n1C(C)C)-c1ccc(F)cc1)-c1ccccc1
Structure:
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