Reaction Details
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3-hydroxy-3-methylglutaryl-coenzyme A reductase
Ligand
BDBM50452896
Substrate
n/a
Meas. Tech.
ChEMBL_1748714 (CHEMBL4183224)
IC50
18120±n/a nM
Citation
Wang, K; Bao, L; Zhou, N; Zhang, J; Liao, M; Zheng, Z; Wang, Y; Liu, C; Wang, J; Wang, L; Wang, W; Liu, S; Liu, H Structural Modification of Natural Product Ganomycin I Leading to Discovery of a ?-Glucosidase and HMG-CoA Reductase Dual Inhibitor Improving Obesity and Metabolic Dysfunction in Vivo. J Med Chem 61:3609-3625 (2018) [PubMed] Article More Info.:
Target
Name:
3-hydroxy-3-methylglutaryl-coenzyme A reductase
Synonyms:
3-hydroxy-3-methylglutaryl-coenzyme A reductase | HMDH_PIG | HMG-CoA reductase | HMGCR | HMGR
Type:
PROTEIN
Mol. Mass.:
97149.70
Organism:
Sus scrofa
Description:
ChEMBL_109835
Residue:
885
Sequence:
MLSRLFRMHGLFVASHPWEVIVGTVTLTICMMSMNMFTGNDKICGWNYECPKFEEDVLSSDIIILTITRCIAILYIYFQFQNLRQLGSKYILGIAGLFTIFSSFVFSTVVIHFLDKELTGLNEALPFFLLLIDLSRASALAKFALSSNSQDEVRENIARGMAILGPTFTLDALVECLVIGVGTMSGVRQLEIMCCFGCMSVLATYFVFMTFFPACVSLVLELSRESREGRPIWQLSHFARVLEGEENKPNPVTQRVKIIMSLGLVLVHAHSRWIADPSPQNSTADNSKVSLGLDENVSKRIEPSVSLWQFYLSKMISMDIEQVITLTLALLLAVKYIFFEQAETESTLSLKNPITSPVVTQKKVTDDCCRREPTLVRNDQKFHTVEEEARINRERKVEVIKPLVAETDTSSRPTFVVGNSTLDSSLELEMQEPEIQIPSEPRPNEECLQILGNAEKGAKFLSDAEIIQLVNAKHIPAYKLETLMETHERGVSIRRQLLSKKLPEPSSLQYLPYRDYNYSLVMGACCENVIGYMPIPVGVAGPLCLDGKEFQVPMATTEGCLVASTNRGCRAIGLGGGASSRILADGMTPVVRFPRACDSAEVKAWLETPEGFAVIKEAFDSTSRFARLQKLQMSVAGRNLYIRFQSRSGDAMGMNMISKGTEKALSKLHEYFPEMQILAVSGNYCTDKKPAAVNWIEGRGKSVVCEAVIPAKVVREVLKTTTEAMVEVNINKNLVGSAMAGSIGGYNAHAANIVTAIYIACGQDAAQNVGSSNCITLMEASGPTNEDLYISCTMPSIEIGTVGGGTSLLPQQACLQMLGVQGACKDNPGENARQLARIVCGTVMAGELSLMAALAAGHLVRSHMIHNRSKINLQDLQGTCTKKAA
Inhibitor
Name:
BDBM50452896
Synonyms:
CHEMBL4210421
Type:
Small organic molecule
Emp. Form.:
C22H28O2
Mol. Mass.:
324.4565
SMILES:
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-1=[#6]-[#6@@H](-[#8]-[#6]-1=O)-c1ccc(-[#6])cc1 |r,t:11|
Structure:
