Attributes
UniProt ID
Protein Name
3-hydroxy-3-methylglutaryl-coenzyme A reductase
Ligand Name
(3R,5R)-7-[4-(benzylcarbamoyl)-2-(4-fluorophenyl)-5-(1-methylethyl)-1H-imidazol-1-yl]-3,5-dihydroxyheptanoic acid
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
ATGOOVTXNDYCBK-FGZHOGPDSA-N
SMILES
CC(C)c1c(nc(n1CCC(CC(CC(=O)O)O)O)c2ccc(cc2)F)C(=O)NCc3ccccc3
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 3CCW
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Color Legend
Unassigned regionsLigand / hetero atomse3ccwA1e3ccwA2e3ccwB1e3ccwB2e3ccwC1e3ccwC2e3ccwD1e3ccwD2
ECOD domains from experimental PDB structures interacting with ligand 4HI
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| P04035 | n/a | 4HI | 3ccw | e3ccwA1 | A:570-686 |
| P04035 | n/a | 4HI | 3ccw | e3ccwA2 | A:441-569,A:687-861 |
| P04035 | n/a | 4HI | 3ccw | e3ccwB2 | B:441-569,B:687-861 |
| P04035 | n/a | 4HI | 3ccw | e3ccwC1 | C:579-695 |
| P04035 | n/a | 4HI | 3ccw | e3ccwC2 | C:444-578,C:696-860 |
| P04035 | n/a | 4HI | 3ccw | e3ccwD1 | D:576-692 |
| P04035 | n/a | 4HI | 3ccw | e3ccwD2 | D:458-575,D:693-859 |