Attributes
UniProt ID
Protein Name
3-hydroxy-3-methylglutaryl-coenzyme A reductase
Ligand Name
(3R,5R)-7-{3-(4-fluorophenyl)-1-(1-methylethyl)-4-phenyl-5-[(4-sulfamoylphenyl)carbamoyl]-1H-pyrrol-2-yl}-3,5-dihydroxyheptanoic acid
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
ZBCQTJGKEZGMGJ-CLJLJLNGSA-N
SMILES
CC(C)n1c(c(c(c1C(=O)Nc2ccc(cc2)S(=O)(=O)N)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: 3CDA
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Color Legend
Unassigned regionsLigand / hetero atomse3cdaA1e3cdaA2e3cdaB1e3cdaB2e3cdaC1e3cdaC2e3cdaD1e3cdaD2
ECOD domains from experimental PDB structures interacting with ligand 8HI
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| P04035 | n/a | 8HI | 3cda | e3cdaA1 | A:579-695 |
| P04035 | n/a | 8HI | 3cda | e3cdaA2 | A:441-578,A:696-862 |
| P04035 | n/a | 8HI | 3cda | e3cdaB1 | B:570-686 |
| P04035 | n/a | 8HI | 3cda | e3cdaB2 | B:441-569,B:687-861 |
| P04035 | n/a | 8HI | 3cda | e3cdaC1 | C:579-695 |
| P04035 | n/a | 8HI | 3cda | e3cdaC2 | C:444-578,C:696-860 |
| P04035 | n/a | 8HI | 3cda | e3cdaD1 | D:576-692 |
| P04035 | n/a | 8HI | 3cda | e3cdaD2 | D:458-575,D:693-859 |