Attributes
UniProt ID
Protein Name
Pyruvate kinase PKLR
Ligand Name
N-{[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]methyl}-3,4-dihydroxybenzene-1-sulfonamide
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
ZBQJJGXTFOWIRF-UHFFFAOYSA-N
SMILES
c1cc(ccc1CNS(=O)(=O)c2ccc(c(c2)O)O)S(=O)(=O)c3ccc(c(c3)O)O
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 7FRX
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Color Legend
Unassigned regionsLigand / hetero atomse7frxA1e7frxA2e7frxB1e7frxB2e7frxC1e7frxC2e7frxD1e7frxD2e7frxE1e7frxE2e7frxF1e7frxF2e7frxG1e7frxG2e7frxH1e7frxH2
ECOD domains from experimental PDB structures interacting with ligand O88
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| P30613 | n/a | O88 | 7frx | e7frxA1 | A:23-408 |
| P30613 | n/a | O88 | 7frx | e7frxA2 | A:409-543 |
| P30613 | n/a | O88 | 7frx | e7frxB1 | B:10-408 |
| P30613 | n/a | O88 | 7frx | e7frxB2 | B:409-543 |
| P30613 | n/a | O88 | 7frx | e7frxC1 | C:19-408 |
| P30613 | n/a | O88 | 7frx | e7frxC2 | C:409-543 |
| P30613 | n/a | O88 | 7frx | e7frxD1 | D:409-543 |
| P30613 | n/a | O88 | 7frx | e7frxD2 | D:21-408 |
| P30613 | n/a | O88 | 7frx | e7frxE1 | E:409-543 |
| P30613 | n/a | O88 | 7frx | e7frxE2 | E:23-408 |
| P30613 | n/a | O88 | 7frx | e7frxF1 | F:409-543 |
| P30613 | n/a | O88 | 7frx | e7frxF2 | F:11-408 |
| P30613 | n/a | O88 | 7frx | e7frxG1 | G:409-543 |
| P30613 | n/a | O88 | 7frx | e7frxG2 | G:23-408 |
| P30613 | n/a | O88 | 7frx | e7frxH1 | H:21-408 |
| P30613 | n/a | O88 | 7frx | e7frxH2 | H:409-543 |