Attributes
UniProt ID
Protein Name
3-hydroxy-3-methylglutaryl-coenzyme A reductase
Ligand Name
(3R,5R)-7-[3-(4-FLUOROPHENYL)-1-ISOPROPYL-8-OXO-7-PHENYL-1,4,5,6,7,8-HEXAHYDROPYRROLO[2,3-C]AZEPIN-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
OMBVEVHRIQULKW-DNQXCXABSA-N
SMILES
CC(C)n1c(c(c2c1C(=O)N(CCC2)c3ccccc3)c4ccc(cc4)F)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: 2Q6B
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Color Legend
Unassigned regionsLigand / hetero atomse2q6bA1e2q6bA2e2q6bB1e2q6bB2e2q6bC1e2q6bC2e2q6bD1e2q6bD2
ECOD domains from experimental PDB structures interacting with ligand HR2
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| P04035 | n/a | HR2 | 2q6b | e2q6bA2 | A:440-578,A:696-864 |
| P04035 | n/a | HR2 | 2q6b | e2q6bB1 | B:579-695 |
| P04035 | n/a | HR2 | 2q6b | e2q6bB2 | B:441-578,B:696-863 |
| P04035 | n/a | HR2 | 2q6b | e2q6bC1 | C:579-695 |
| P04035 | n/a | HR2 | 2q6b | e2q6bC2 | C:442-578,C:696-863 |
| P04035 | n/a | HR2 | 2q6b | e2q6bD1 | D:579-695 |
| P04035 | n/a | HR2 | 2q6b | e2q6bD2 | D:442-578,D:696-866 |