Attributes
UniProt ID
Protein Name
3-hydroxy-3-methylglutaryl-coenzyme A reductase
Ligand Name
(3R,5R)-7-[5-(ANILINOCARBONYL)-3,4-BIS(4-FLUOROPHENYL)-1-ISOPROPYL-1H-PYRROL-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
VZMMUQFHUUOVEM-KAYWLYCHSA-N
SMILES
CC(C)n1c(c(c(c1C(=O)Nc2ccccc2)c3ccc(cc3)F)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: 2Q1L
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Color Legend
Unassigned regionsLigand / hetero atomse2q1lA1e2q1lA2e2q1lB1e2q1lB2e2q1lC1e2q1lC2e2q1lD1e2q1lD2
ECOD domains from experimental PDB structures interacting with ligand 882
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| P04035 | n/a | 882 | 2q1l | e2q1lA1 | A:459-586,A:704-861 |
| P04035 | n/a | 882 | 2q1l | e2q1lA2 | A:587-703 |
| P04035 | n/a | 882 | 2q1l | e2q1lB2 | B:459-586,B:704-861 |
| P04035 | n/a | 882 | 2q1l | e2q1lC1 | C:579-695 |
| P04035 | n/a | 882 | 2q1l | e2q1lC2 | C:444-578,C:696-860 |
| P04035 | n/a | 882 | 2q1l | e2q1lD1 | D:576-692 |
| P04035 | n/a | 882 | 2q1l | e2q1lD2 | D:458-575,D:693-859 |
| P04035 | n/a | 882 | 3cd7 | e3cd7A1 | A:579-695 |
| P04035 | n/a | 882 | 3cd7 | e3cd7A2 | A:459-578,A:696-861 |
| P04035 | n/a | 882 | 3cd7 | e3cd7B2 | B:459-586,B:704-861 |
| P04035 | n/a | 882 | 3cd7 | e3cd7C1 | C:579-695 |
| P04035 | n/a | 882 | 3cd7 | e3cd7C2 | C:444-578,C:696-860 |
| P04035 | n/a | 882 | 3cd7 | e3cd7D1 | D:576-692 |
| P04035 | n/a | 882 | 3cd7 | e3cd7D2 | D:458-575,D:693-859 |