Attributes
UniProt ID
Protein Name
3-hydroxy-3-methylglutaryl-coenzyme A reductase
Ligand Name
(3R,5R)-7-[1-(4-fluorophenyl)-4-(1-methylethyl)-3-{methyl[(1R)-1-phenylethyl]carbamoyl}-1H-pyrazol-5-yl]-3,5-dihydroxyheptanoic acid
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
MPDDTAJMJCESGV-CTUHWIOQSA-N
SMILES
CC(C)c1c(n(nc1C(=O)N(C)C(C)c2ccccc2)c3ccc(cc3)F)CCC(CC(CC(=O)O)O)O
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 2R4F
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Color Legend
Unassigned regionsLigand / hetero atomse2r4fA1e2r4fA2e2r4fB1e2r4fB2e2r4fC1e2r4fC2e2r4fD1e2r4fD2
ECOD domains from experimental PDB structures interacting with ligand RIE
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| P04035 | n/a | RIE | 2r4f | e2r4fA1 | A:570-686 |
| P04035 | n/a | RIE | 2r4f | e2r4fA2 | A:441-569,A:687-860 |
| P04035 | n/a | RIE | 2r4f | e2r4fB1 | B:576-692 |
| P04035 | n/a | RIE | 2r4f | e2r4fB2 | B:441-575,B:693-860 |
| P04035 | n/a | RIE | 2r4f | e2r4fC1 | C:587-703 |
| P04035 | n/a | RIE | 2r4f | e2r4fC2 | C:444-586,C:704-860 |
| P04035 | n/a | RIE | 2r4f | e2r4fD1 | D:576-692 |
| P04035 | n/a | RIE | 2r4f | e2r4fD2 | D:458-575,D:693-860 |