Ki Summary new BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
Target3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)
LigandBDBM50139181
Substrate/Competitorn/a
Meas. Tech.ChEMBL_302634
Ki 2.6±n/a nM
Citation Medina-Franco JLLópez-Vallejo FRodríguez-Morales SCastillo RChamorro GTamariz J Molecular docking of the highly hypolipidemic agent alpha-asarone with the catalytic portion of HMG-CoA reductase. Bioorg Med Chem Lett 15:989-94 (2005) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)
Name:HMG-CoA reductase
Synonyms:3-hydroxy-3-methylglutaryl-coenzyme A (HMG-CoA) reductase | HMG-CoA Reductase | HMG-CoA reductase (HMGR)
Type:Enzyme
Mol. Mass.:97477.10
Organism:Homo sapiens (Human)
Description:P04035
Residue:888
Sequence:
MLSRLFRMHGLFVASHPWEVIVGTVTLTICMMSMNMFTGNNKICGWNYECPKFEEDVLSS
DIIILTITRCIAILYIYFQFQNLRQLGSKYILGIAGLFTIFSSFVFSTVVIHFLDKELTG
LNEALPFFLLLIDLSRASTLAKFALSSNSQDEVRENIARGMAILGPTFTLDALVECLVIG
VGTMSGVRQLEIMCCFGCMSVLANYFVFMTFFPACVSLVLELSRESREGRPIWQLSHFAR
VLEEEENKPNPVTQRVKMIMSLGLVLVHAHSRWIADPSPQNSTADTSKVSLGLDENVSKR
IEPSVSLWQFYLSKMISMDIEQVITLSLALLLAVKYIFFEQTETESTLSLKNPITSPVVT
QKKVPDNCCRREPMLVRNNQKCDSVEEETGINRERKVEVIKPLVAETDTPNRATFVVGNS
SLLDTSSVLVTQEPEIELPREPRPNEECLQILGNAEKGAKFLSDAEIIQLVNAKHIPAYK
LETLMETHERGVSIRRQLLSKKLSEPSSLQYLPYRDYNYSLVMGACCENVIGYMPIPVGV
AGPLCLDEKEFQVPMATTEGCLVASTNRGCRAIGLGGGASSRVLADGMTRGPVVRLPRAC
DSAEVKAWLETSEGFAVIKEAFDSTSRFARLQKLHTSIAGRNLYIRFQSRSGDAMGMNMI
SKGTEKALSKLHEYFPEMQILAVSGNYCTDKKPAAINWIEGRGKSVVCEAVIPAKVVREV
LKTTTEAMIEVNINKNLVGSAMAGSIGGYNAHAANIVTAIYIACGQDAAQNVGSSNCITL
MEASGPTNEDLYISCTMPSIEIGTVGGGTNLLPQQACLQMLGVQGACKDNPGENARQLAR
IVCGTVMAGELSLMAALAAGHLVKSHMIHNRSKINLQDLQGACTKKTA
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50139181
n/a
NameBDBM50139181
Synonyms:(1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate | 2,2-dimethylbutyric acid, 8-ester with (4R,6R)-6-(2-((1S,2S,6R,8S,8aR)-1,2,6,7,8,8a-hexahydro-8-hydroxy-2,6-dimethyl-1-naphthyl)ethyl)tetrahydro-4-hydroxy-2H-pyran-2-one | MK-733 | SIMVASTATIN LACTONE | Simvastatin | Zocor | cid_54454
TypeSmall organic molecule
Emp. Form.C25H38O5
Mol. Mass.418.5662
SMILESCCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 |r,c:14,t:12|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: