Attributes
UniProt ID
Protein Name
Pyruvate kinase PKLR
Ligand Name
3,4-dihydroxy-N-{2-[4-(3-hydroxybenzene-1-sulfonyl)phenyl]ethyl}benzene-1-sulfonamide
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
WVXXJFOMKHHPNL-UHFFFAOYSA-N
SMILES
c1cc(cc(c1)S(=O)(=O)c2ccc(cc2)CCNS(=O)(=O)c3ccc(c(c3)O)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: 7FS0
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Color Legend
Unassigned regionsLigand / hetero atomse7fs0A1e7fs0A2e7fs0B1e7fs0B2e7fs0C1e7fs0C2e7fs0D1e7fs0D2e7fs0E1e7fs0E2e7fs0F1e7fs0F2e7fs0G1e7fs0G2e7fs0H1e7fs0H2
ECOD domains from experimental PDB structures interacting with ligand O8X
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| P30613 | n/a | O8X | 7fs0 | e7fs0A1 | A:23-408 |
| P30613 | n/a | O8X | 7fs0 | e7fs0A2 | A:409-543 |
| P30613 | n/a | O8X | 7fs0 | e7fs0B1 | B:10-408 |
| P30613 | n/a | O8X | 7fs0 | e7fs0B2 | B:409-543 |
| P30613 | n/a | O8X | 7fs0 | e7fs0C1 | C:19-408 |
| P30613 | n/a | O8X | 7fs0 | e7fs0C2 | C:409-543 |
| P30613 | n/a | O8X | 7fs0 | e7fs0D1 | D:409-543 |
| P30613 | n/a | O8X | 7fs0 | e7fs0D2 | D:21-408 |
| P30613 | n/a | O8X | 7fs0 | e7fs0E1 | E:23-408 |
| P30613 | n/a | O8X | 7fs0 | e7fs0E2 | E:409-543 |
| P30613 | n/a | O8X | 7fs0 | e7fs0F1 | F:11-408 |
| P30613 | n/a | O8X | 7fs0 | e7fs0F2 | F:409-543 |
| P30613 | n/a | O8X | 7fs0 | e7fs0G1 | G:409-543 |
| P30613 | n/a | O8X | 7fs0 | e7fs0G2 | G:23-408 |
| P30613 | n/a | O8X | 7fs0 | e7fs0H1 | H:409-543 |
| P30613 | n/a | O8X | 7fs0 | e7fs0H2 | H:21-408 |