Attributes
UniProt ID
Protein Name
3-hydroxy-3-methylglutaryl-coenzyme A reductase
Ligand Name
(3R,5R)-7-{3-[(4-carbamoylphenyl)sulfamoyl]-4,5-bis(4-fluorophenyl)-2-(1-methylethyl)-1H-pyrrol-1-yl}-3,5-dihydroxyheptanoic acid
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
IYYNBGFAAGBIAX-KAYWLYCHSA-N
SMILES
CC(C)c1c(c(c(n1CCC(CC(CC(=O)O)O)O)c2ccc(cc2)F)c3ccc(cc3)F)S(=O)(=O)Nc4ccc(cc4)C(=O)N
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 3CDB
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Color Legend
Unassigned regionsLigand / hetero atomse3cdbA1e3cdbA2e3cdbB1e3cdbB2e3cdbC1e3cdbC2e3cdbD1e3cdbD2
ECOD domains from experimental PDB structures interacting with ligand 9HI
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| P04035 | n/a | 9HI | 3cdb | e3cdbA1 | A:570-686 |
| P04035 | n/a | 9HI | 3cdb | e3cdbA2 | A:441-569,A:687-861 |
| P04035 | n/a | 9HI | 3cdb | e3cdbB2 | B:441-569,B:687-861 |
| P04035 | n/a | 9HI | 3cdb | e3cdbC1 | C:570-686 |
| P04035 | n/a | 9HI | 3cdb | e3cdbC2 | C:444-569,C:687-861 |
| P04035 | n/a | 9HI | 3cdb | e3cdbD1 | D:576-692 |
| P04035 | n/a | 9HI | 3cdb | e3cdbD2 | D:458-575,D:693-861 |