Attributes
UniProt ID
Protein Name
3-hydroxy-3-methylglutaryl-coenzyme A reductase
Ligand Name
Simvastatin acid
DrugBank ID
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
XWLXKKNPFMNSFA-HGQWONQESA-N
SMILES
CCC(C)(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC(CC(CC(=O)O)O)O)C
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 1HW9
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Color Legend
Unassigned regionsLigand / hetero atomse1hw9A1e1hw9A2e1hw9B1e1hw9B2e1hw9C1e1hw9C2e1hw9D1e1hw9D2
ECOD domains from experimental PDB structures interacting with ligand DB14714
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| P04035 | DB14714 | SIM | 1hw9 | e1hw9A1 | A:587-703 |
| P04035 | DB14714 | SIM | 1hw9 | e1hw9A2 | A:451-586,A:704-850 |
| P04035 | DB14714 | SIM | 1hw9 | e1hw9B1 | B:587-703 |
| P04035 | DB14714 | SIM | 1hw9 | e1hw9B2 | B:463-586,B:704-860 |
| P04035 | DB14714 | SIM | 1hw9 | e1hw9C2 | C:463-586,C:704-852 |
| P04035 | DB14714 | SIM | 1hw9 | e1hw9D1 | D:587-703 |