Attributes
UniProt ID
Protein Name
Protein CysO
Ligand Name
(2S)-3-acetyloxy-2-[(E)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]propanoic acid
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
CDKXKQFHRCVQDP-WCFOZWBASA-N
SMILES
Cc1c(c(c(cn1)COP(=O)(O)O)C=NC(COC(=O)C)C(=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: 6L0R
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Color Legend
Unassigned regionsLigand / hetero atomse6l0rA1e6l0rA2e6l0rA3e6l0rB1e6l0rB2e6l0rB3e6l0rC1e6l0rC2e6l0rC3e6l0rD1e6l0rD2e6l0rD3
ECOD domains from experimental PDB structures interacting with ligand E1R
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| Q9YBL2 | n/a | E1R | 6l0r | e6l0rA2 | A:97-230 |
| Q9YBL2 | n/a | E1R | 6l0r | e6l0rA3 | A:231-383 |
| Q9YBL2 | n/a | E1R | 6l0r | e6l0rB1 | B:97-230 |
| Q9YBL2 | n/a | E1R | 6l0r | e6l0rB2 | B:231-383 |
| Q9YBL2 | n/a | E1R | 6l0r | e6l0rC1 | C:97-230 |
| Q9YBL2 | n/a | E1R | 6l0r | e6l0rC2 | C:231-383 |
| Q9YBL2 | n/a | E1R | 6l0r | e6l0rD2 | D:231-383 |
| Q9YBL2 | n/a | E1R | 6l0r | e6l0rD3 | D:97-230 |