Reaction Details | |||
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Target | 3-hydroxy-3-methylglutaryl-coenzyme A reductase | ||
Ligand | BDBM50139181 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEBML_1686625 | ||
IC50 | 0.900000±n/a nM | ||
Citation | Talele, TT Natural-Products-Inspired Use of the gem-Dimethyl Group in Medicinal Chemistry. J Med Chem61:2166-2210 (2018) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
3-hydroxy-3-methylglutaryl-coenzyme A reductase | |||
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: |
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BDBM50139181 | |||
n/a | |||
Name | BDBM50139181 | ||
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 | ||
Type | Small organic molecule | ||
Emp. Form. | C25H38O5 | ||
Mol. Mass. | 418.5662 | ||
SMILES | CCC(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 |