Attributes
UniProt ID
Protein Name
Pyruvate kinase PKM
Ligand Name
3-{[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,4-diazepan-1-yl]sulfonyl}aniline
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
GMHIOMMKSMSRLY-UHFFFAOYSA-N
SMILES
c1cc(cc(c1)S(=O)(=O)N2CCCN(CC2)S(=O)(=O)c3ccc4c(c3)OCCO4)N
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 3ME3
Hover over the Mol* viewer to rotate or zoom with the mouse. Move the cursor out of the viewer to go back to normal page scrolling and one-click navigation.
Hover inside the viewer to rotate or zoom. Move out to scroll the page or click links normally.
Color Legend
Unassigned regionsLigand / hetero atomse3me3A1e3me3A2e3me3A3e3me3B1e3me3B2e3me3B3e3me3C1e3me3C3e3me3C4e3me3D1e3me3D3e3me3D4
ECOD domains from experimental PDB structures interacting with ligand 3SZ
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| P14618 | n/a | 3SZ | 3me3 | e3me3A2 | A:397-531 |
| P14618 | n/a | 3SZ | 3me3 | e3me3A3 | A:14-116,A:219-396 |
| P14618 | n/a | 3SZ | 3me3 | e3me3B1 | B:14-116,B:219-396 |
| P14618 | n/a | 3SZ | 3me3 | e3me3B3 | B:397-531 |
| P14618 | n/a | 3SZ | 3me3 | e3me3C1 | C:397-531 |
| P14618 | n/a | 3SZ | 3me3 | e3me3C3 | C:15-116,C:219-396 |
| P14618 | n/a | 3SZ | 3me3 | e3me3D1 | D:397-531 |
| P14618 | n/a | 3SZ | 3me3 | e3me3D3 | D:15-116,D:219-396 |