Reaction Details | |||
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Target | 3-hydroxy-3-methylglutaryl-coenzyme A reductase | ||
Ligand | BDBM50011036 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_305887 (CHEMBL832902) | ||
IC50 | 23±n/a nM | ||
Citation | Thilagavathi, R; Kumar, R; Aparna, V; Sobhia, ME; Gopalakrishnan, B; Chakraborti, AK Three-dimensional quantitative structure (3-D QSAR) activity relationship studies on imidazolyl and N-pyrrolyl heptenoates as 3-hydroxy-3-methylglutaryl-CoA reductase (HMGR) inhibitors by comparative molecular similarity indices analysis (CoMSIA). Bioorg Med Chem Lett15:1027-32 (2005) [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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BDBM50011036 | |||
n/a | |||
Name | BDBM50011036 | ||
Synonyms: | (S)-((1S,7S,8S,8aR)-8-(2-((2R,4R)-4-hydroxy-6-oxo-tetrahydro-2H-pyran-2-yl)ethyl)-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl) 2-methylbutanoate | (S)-2-Methyl-butyric acid (1S,7S,8S,8aR)-8-[2-((2R,4R)-4-hydroxy-6-oxo-tetrahydro-pyran-2-yl)-ethyl]-7-methyl-1,2,3,7,8,8a-hexahydro-naphthalen-1-yl ester | 2-Methyl-butyric acid 8-[2-(4-hydroxy-6-oxo-tetrahydro-pyran-2-yl)-ethyl]-7-methyl-1,2,3,7,8,8a-hexahydro-naphthalen-1-yl ester | 2-Methyl-butyric acid 8-[2-(4-hydroxy-6-oxo-tetrahydro-pyran-2-yl)-ethyl]-7-methyl-1,2,3,7,8,8a-hexahydro-naphthalen-1-yl ester((+)-compactin) | 2-Methyl-butyric acid 8-[2-(4-hydroxy-6-oxo-tetrahydro-pyran-2-yl)-ethyl]-7-methyl-1,2,3,7,8,8a-hexahydro-naphthalen-1-yl ester(Compactin) | CHEMBL54440 | MEVASTATIN | cid_64715 | compactin | ||
Type | Small organic molecule | ||
Emp. Form. | C23H34O5 | ||
Mol. Mass. | 390.5131 | ||
SMILES | CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 |r,c:12,t:10| | ||
Structure |