Reaction Details Report a problem with these data
Target
3-hydroxy-3-methylglutaryl-coenzyme A reductase
Ligand
BDBM50604988
Substrate
n/a
Meas. Tech.
ChEMBL_2249845 (CHEMBL5164055)
EC50
3370±n/a nM
Citation
 Li, XZ; Jiang, SY; Li, GQ; Jiang, QR; Li, JW; Li, CC; Han, YQ; Song, BL; Ma, XR; Qi, W; Qiu, WW Synthesis of heterocyclic ring-fused analogs of HMG499 as novel degraders of HMG-CoA reductase that lower cholesterol. Eur J Med Chem 236:0 (2022) [PubMed] 
Target
Name:
3-hydroxy-3-methylglutaryl-coenzyme A reductase
Synonyms:
1.1.1.34 | HMDH_CRIGR | HMG-CoA reductase | HMGCR
Type:
PROTEIN
Mol. Mass.:
97080.74
Organism:
Cricetulus griseus
Description:
ChEMBL_120644
Residue:
887
Sequence:
MLSRLFRMHGLFVASHPWEVIVGTVTLTICMMSMNMFTGNNKICGWNYECPKFEEDVLSSDIIILTITRCIAILYIYFQFQNLRQLGSKYILGIAGLFTIFSSFVFSTVVIHFLDKELTGLNEALPFFLLLIDLSRASALAKFALSSNSQDEVRENIARGMAILGPTFTLDALVECLVIGVGTMSGVRQLEIMCCFGCMSVLANYFVFMTFFPACVSLVLELSRESREGRPIWQLSHFARVLEEEENKPNPVTQRVKMIMSLGLVLVHAHSRWIADPSPQNSTTEHSKVSLGLDEDVSKRIEPSVSLWQFYLSKMISMDIEQVVTLSLAFLLAVKYIFFEQAETESTLSLKNPITSPVVTPKKAPDNCCRREPLLVRRSEKLSSVEEEPGVSQDRKVEVIKPLVVETESASRATFVLGASGTSPPVAARTQELEIELPSEPRPNEECLQILESAEKGAKFLSDAEIIQLVNAKHIPAYKLETLMETHERGVSIRRQLLSTKLPEPSSLQYLPYRDYNYSLVMGACCENVIGYMPIPVGVAGPLCLDGKEYQVPMATTEGCLVASTNRGCRAIGLGGGASSRVLADGMTRGPVVRLPRACDSAEVKAWLETPEGFAVIKDAFDSTSRFARLQKLHVTMAGRNLYIRFQSKTGDAMGMNMISKGTEKALLKLQEFFPEMQILAVSGNYCTDKKPAAINWIEGRGKTVVCEAVIPAKVVREVLKTTTEAMIDVNINKNLVGSAMAGSIGGYNAHAANIVTAIYIACGQDAAQNVGSSNCITLMEASGPTNEDLYISCTMPSIEIGTVGGGTNLLPQQACLQMLGVQGACKDNPGENARQLARIVCGTVMAGELSLMAALAAGHLVRSHMVHNRSKINLQDLQGTCTKKSA
  
Inhibitor
Name:
BDBM50604988
Synonyms:
CHEMBL5174649
Type:
Small organic molecule
Emp. Form.:
C28H41NO2S
Mol. Mass.:
455.696
SMILES:
[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C(C)(C)c5sc(C)nc5C[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O |r,t:9|
Structure:
Search PDB for entries with ligand similarity: