Attributes
UniProt ID
Protein Name
3-hydroxy-3-methylglutaryl-coenzyme A reductase
Ligand Name
(3R,5R)-3,5-dihydroxy-7-[(1S,2S,8S,8aR)-2-methyl-8-{[(2S)-2-methylbutanoyl]oxy}-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]h eptanoic acid
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
BOZILQFLQYBIIY-INTXDZFKSA-N
SMILES
CCC(C)C(=O)OC1CCC=C2C1C(C(C=C2)C)CCC(CC(CC(=O)O)O)O
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 1HW8
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Color Legend
Unassigned regionsLigand / hetero atomse1hw8A1e1hw8A2e1hw8B1e1hw8B2e1hw8C1e1hw8C2e1hw8D1e1hw8D2
ECOD domains from experimental PDB structures interacting with ligand 114
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| P04035 | n/a | 114 | 1hw8 | e1hw8A1 | A:587-703 |
| P04035 | n/a | 114 | 1hw8 | e1hw8A2 | A:449-586,A:704-845 |
| P04035 | n/a | 114 | 1hw8 | e1hw8B1 | B:587-703 |
| P04035 | n/a | 114 | 1hw8 | e1hw8B2 | B:454-586,B:704-853 |
| P04035 | n/a | 114 | 1hw8 | e1hw8C1 | C:587-703 |
| P04035 | n/a | 114 | 1hw8 | e1hw8C2 | C:488-586,C:704-860 |
| P04035 | n/a | 114 | 1hw8 | e1hw8D1 | D:587-703 |
| P04035 | n/a | 114 | 1hw8 | e1hw8D2 | D:488-586,D:704-859 |