Attributes
UniProt ID
Protein Name
Pyruvate kinase PKM
Ligand Name
4-[2,3-bis(chloranyl)phenyl]carbonyl-N-[2-[[4-[2,3-bis(chloranyl)phenyl]carbonyl-1-methyl-pyrrol-2-yl]carbonylamino]ethyl]-1-methyl-pyrrole-2-carboxamide
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
JORSMLRHZLRFBN-UHFFFAOYSA-N
SMILES
Cn1cc(cc1C(=O)NCCNC(=O)c2cc(cn2C)C(=O)c3cccc(c3Cl)Cl)C(=O)c4cccc(c4Cl)Cl
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 5X1W
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Color Legend
Unassigned regionsLigand / hetero atomse5x1wA1e5x1wA2e5x1wA3e5x1wB1e5x1wB2e5x1wB3e5x1wC1e5x1wC2e5x1wC3e5x1wD1e5x1wD2e5x1wD3
ECOD domains from experimental PDB structures interacting with ligand 7Y0
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| P14618 | n/a | 7Y0 | 5x1w | e5x1wA2 | A:14-116,A:219-396 |
| P14618 | n/a | 7Y0 | 5x1w | e5x1wA3 | A:397-531 |
| P14618 | n/a | 7Y0 | 5x1w | e5x1wB1 | B:14-116,B:219-396 |
| P14618 | n/a | 7Y0 | 5x1w | e5x1wB3 | B:397-531 |
| P14618 | n/a | 7Y0 | 5x1w | e5x1wC1 | C:14-116,C:219-396 |
| P14618 | n/a | 7Y0 | 5x1w | e5x1wC2 | C:397-531 |
| P14618 | n/a | 7Y0 | 5x1w | e5x1wD2 | D:14-116,D:219-396 |
| P14618 | n/a | 7Y0 | 5x1w | e5x1wD3 | D:397-531 |