Attributes
UniProt ID
Protein Name
Pyruvate kinase PKLR
Ligand Name
N-{[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]methyl}-4,4',5-trihydroxy[1,1'-biphenyl]-2-sulfonamide
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
HSSFPFXEQQQRPL-UHFFFAOYSA-N
SMILES
c1cc(ccc1CNS(=O)(=O)c2cc(c(cc2c3ccc(cc3)O)O)O)S(=O)(=O)c4ccc(c(c4)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: 7FS3
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Color Legend
Unassigned regionsLigand / hetero atomse7fs3A1e7fs3A2e7fs3B1e7fs3B2e7fs3C1e7fs3C2e7fs3D1e7fs3D2e7fs3E1e7fs3E2e7fs3F1e7fs3F2e7fs3G1e7fs3G2e7fs3H1e7fs3H2
ECOD domains from experimental PDB structures interacting with ligand O9I
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| P30613 | n/a | O9I | 7fs3 | e7fs3A1 | A:23-408 |
| P30613 | n/a | O9I | 7fs3 | e7fs3A2 | A:409-543 |
| P30613 | n/a | O9I | 7fs3 | e7fs3B1 | B:10-408 |
| P30613 | n/a | O9I | 7fs3 | e7fs3B2 | B:409-543 |
| P30613 | n/a | O9I | 7fs3 | e7fs3C1 | C:19-408 |
| P30613 | n/a | O9I | 7fs3 | e7fs3C2 | C:409-543 |
| P30613 | n/a | O9I | 7fs3 | e7fs3D1 | D:21-408 |
| P30613 | n/a | O9I | 7fs3 | e7fs3D2 | D:409-543 |
| P30613 | n/a | O9I | 7fs3 | e7fs3E2 | E:23-408 |
| P30613 | n/a | O9I | 7fs3 | e7fs3F1 | F:409-543 |
| P30613 | n/a | O9I | 7fs3 | e7fs3F2 | F:11-408 |
| P30613 | n/a | O9I | 7fs3 | e7fs3G2 | G:23-408 |
| P30613 | n/a | O9I | 7fs3 | e7fs3H1 | H:409-543 |
| P30613 | n/a | O9I | 7fs3 | e7fs3H2 | H:21-408 |