Attributes
UniProt ID
Protein Name
Pyruvate dehydrogenase E1 component
Ligand Name
3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-{(1S)-1-HYDROXY-1-[(R)-HYDROXY(METHOXY)PHOSPHORYL]ETHYL}-5-(2-{[(S)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-4-METHYL-1,3-THIAZOL-3-IUM
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
ILGXNMPRCMTAOK-HNNXBMFYSA-O
SMILES
Cc1c(sc([n+]1Cc2cnc(nc2N)C)C(C)(O)P(=O)(O)OC)CCOP(=O)(O)OP(=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: 2G25
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Color Legend
Unassigned regionsLigand / hetero atomse2g25A2e2g25A3e2g25A4e2g25B2e2g25B3e2g25B4
ECOD domains from experimental PDB structures interacting with ligand TDK
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| P0AFG8 | n/a | TDK | 2g25 | e2g25A2 | A:471-700 |
| P0AFG8 | n/a | TDK | 2g25 | e2g25A3 | A:56-470 |
| P0AFG8 | n/a | TDK | 2g25 | e2g25B2 | B:471-700 |
| P0AFG8 | n/a | TDK | 2g25 | e2g25B3 | B:56-470 |
| P0AFG8 | n/a | TDK | 2g28 | e2g28A2 | A:56-470 |
| P0AFG8 | n/a | TDK | 2g28 | e2g28A3 | A:471-700 |
| P0AFG8 | n/a | TDK | 2g28 | e2g28B1 | B:471-700 |
| P0AFG8 | n/a | TDK | 2g28 | e2g28B4 | B:56-470 |
| P0AFG8 | n/a | TDK | 2qtc | e2qtcA1 | A:471-700 |
| P0AFG8 | n/a | TDK | 2qtc | e2qtcA2 | A:56-470 |
| P0AFG8 | n/a | TDK | 2qtc | e2qtcB1 | B:471-700 |
| P0AFG8 | n/a | TDK | 2qtc | e2qtcB4 | B:56-470 |