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Target
3-hydroxy-3-methylglutaryl-coenzyme A reductase
Ligand
BDBM50647652
Substrate
n/a
Meas. Tech.
ChEMBL_2481134
IC50
2500±n/a nM
Citation
 Zheng, Y; Li, Q; Gu, M; Liao, H; Liang, Y; Liu, F; Li, XN; Sun, W; Chen, C; Zhang, Y; Zhu, H Undobolins A-L, Ophiobolin-Type Sesterterpenoids from Aspergillus undulatus. J Nat Prod 87:1965-1974[PubMed] 
Target
Name:
3-hydroxy-3-methylglutaryl-coenzyme A reductase
Synonyms:
3-hydroxy-3-methylglutaryl-coenzyme A (HMG-CoA) reductase | HMG-CoA Reductase | HMG-CoA reductase (HMGR) | HMDH_HUMAN | HMGCR | 3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)
Type:
Enzyme
Mol. Mass.:
97477.10
Organism:
Human
Description:
P04035
Residue:
888
Sequence:
MLSRLFRMHGLFVASHPWEVIVGTVTLTICMMSMNMFTGNNKICGWNYECPKFEEDVLSSDIIILTITRCIAILYIYFQFQNLRQLGSKYILGIAGLFTIFSSFVFSTVVIHFLDKELTGLNEALPFFLLLIDLSRASTLAKFALSSNSQDEVRENIARGMAILGPTFTLDALVECLVIGVGTMSGVRQLEIMCCFGCMSVLANYFVFMTFFPACVSLVLELSRESREGRPIWQLSHFARVLEEEENKPNPVTQRVKMIMSLGLVLVHAHSRWIADPSPQNSTADTSKVSLGLDENVSKRIEPSVSLWQFYLSKMISMDIEQVITLSLALLLAVKYIFFEQTETESTLSLKNPITSPVVTQKKVPDNCCRREPMLVRNNQKCDSVEEETGINRERKVEVIKPLVAETDTPNRATFVVGNSSLLDTSSVLVTQEPEIELPREPRPNEECLQILGNAEKGAKFLSDAEIIQLVNAKHIPAYKLETLMETHERGVSIRRQLLSKKLSEPSSLQYLPYRDYNYSLVMGACCENVIGYMPIPVGVAGPLCLDEKEFQVPMATTEGCLVASTNRGCRAIGLGGGASSRVLADGMTRGPVVRLPRACDSAEVKAWLETSEGFAVIKEAFDSTSRFARLQKLHTSIAGRNLYIRFQSRSGDAMGMNMISKGTEKALSKLHEYFPEMQILAVSGNYCTDKKPAAINWIEGRGKSVVCEAVIPAKVVREVLKTTTEAMIEVNINKNLVGSAMAGSIGGYNAHAANIVTAIYIACGQDAAQNVGSSNCITLMEASGPTNEDLYISCTMPSIEIGTVGGGTNLLPQQACLQMLGVQGACKDNPGENARQLARIVCGTVMAGELSLMAALAAGHLVKSHMIHNRSKINLQDLQGACTKKTA
  
Inhibitor
Name:
BDBM50647652
Synonyms:
CHEMBL5597939
Type:
Small organic molecule
Emp. Form.:
C26H35NO4
Mol. Mass.:
425.57
SMILES:
CC(C)=C[C@H]1C[C@H](C)[C@]2(CC[C@]3(C)C[C@@H]4C(=O)C=C5C4=C(CC[C@H]32)C(=O)N5CCO)O1
Structure:
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