Attributes
UniProt ID
Protein Name
Thioredoxin 1
Ligand Name
4-[2-[4-(aminomethyl)phenyl]phenyl]piperazin-2-one
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
PENSDGIWXYUOBB-UHFFFAOYSA-N
SMILES
c1ccc(c(c1)c2ccc(cc2)CN)N3CCNC(=O)C3
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 6LUR
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Color Legend
Unassigned regionsLigand / hetero atomse6lurA1e6lurA2e6lurB1e6lurB2e6lurC1e6lurC2e6lurD1e6lurD2e6lurE1e6lurE2e6lurF1e6lurF2e6lurG1e6lurG2e6lurH1e6lurH2
ECOD domains from experimental PDB structures interacting with ligand EVU
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| P0AA25 | n/a | EVU | 6lur | e6lurA1 | A:454-556 |
| P0AA25 | n/a | EVU | 6lur | e6lurA2 | A:346-453 |
| P0AA25 | n/a | EVU | 6lur | e6lurB1 | B:454-556 |
| P0AA25 | n/a | EVU | 6lur | e6lurB2 | B:346-453 |
| P0AA25 | n/a | EVU | 6lur | e6lurC1 | C:454-556 |
| P0AA25 | n/a | EVU | 6lur | e6lurC2 | C:346-453 |
| P0AA25 | n/a | EVU | 6lur | e6lurD1 | D:344-453 |
| P0AA25 | n/a | EVU | 6lur | e6lurE2 | E:454-556 |
| P0AA25 | n/a | EVU | 6lur | e6lurF2 | F:346-453 |