Attributes
UniProt ID
Protein Name
Thioredoxin reductase
Ligand Name
NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
DrugBank ID
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
ACFIXJIJDZMPPO-NNYOXOHSSA-N
SMILES
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 4A5L
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Color Legend
Unassigned regionsLigand / hetero atomse4a5lA1e4a5lA2e4a5lB1e4a5lB2
ECOD domains from experimental PDB structures interacting with ligand DB02338
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| C4LW95 | DB02338 | NDP | 4a5l | e4a5lA1 | A:2-124,A:249-314 |
| C4LW95 | DB02338 | NDP | 4a5l | e4a5lA2 | A:125-248 |
| C4LW95 | DB02338 | NDP | 4a5l | e4a5lB1 | B:1-123,B:248-313 |
| C4LW95 | DB02338 | NDP | 4a5l | e4a5lB2 | B:124-247 |
| C4LW95 | DB02338 | NDP | 4a65 | e4a65A1 | A:1-120,A:245-310 |
| C4LW95 | DB02338 | NDP | 4a65 | e4a65A2 | A:121-244 |
| C4LW95 | DB02338 | NDP | 4a65 | e4a65B1 | B:2-123,B:248-314 |
| C4LW95 | DB02338 | NDP | 4a65 | e4a65B2 | B:124-247 |
| C4LW95 | DB02338 | NDP | 4cbq | e4cbqA1 | A:3-124,A:249-314 |
| C4LW95 | DB02338 | NDP | 4cbq | e4cbqA2 | A:125-248 |
| C4LW95 | DB02338 | NDP | 4cbq | e4cbqB1 | B:3-124,B:249-314 |
| C4LW95 | DB02338 | NDP | 4cbq | e4cbqB2 | B:125-248 |
| C4LW95 | DB02338 | NDP | 4up3 | e4up3A1 | A:3-124,A:249-314 |
| C4LW95 | DB02338 | NDP | 4up3 | e4up3A2 | A:125-248 |
| C4LW95 | DB02338 | NDP | 4up3 | e4up3B1 | B:3-124,B:249-314 |
| C4LW95 | DB02338 | NDP | 4up3 | e4up3B2 | B:125-248 |