Attributes
UniProt ID
Protein Name
Trypanothione reductase ,N-bisspermidine reductase
Ligand Name
methyl (2~{S},4~{R})-1-(furan-2-ylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylate
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
GVYWVRYDCMRUCE-SFYZADRCSA-N
SMILES
COC(=O)C1CC(CN1C(=O)c2ccco2)O
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 5S9T
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Color Legend
Unassigned regionsLigand / hetero atomse5s9tA1e5s9tA2e5s9tA3e5s9tB1e5s9tB2e5s9tB3
ECOD domains from experimental PDB structures interacting with ligand GQJ
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| A0A3L6KZJ1 | n/a | GQJ | 5s9t | e5s9tA1 | A:169-285 |
| A0A3L6KZJ1 | n/a | GQJ | 5s9t | e5s9tA2 | A:3-168,A:286-357 |
| A0A3L6KZJ1 | n/a | GQJ | 5s9t | e5s9tA3 | A:358-488 |
| A0A3L6KZJ1 | n/a | GQJ | 5s9t | e5s9tB1 | B:358-485 |
| A0A3L6KZJ1 | n/a | GQJ | 5s9t | e5s9tB2 | B:3-168,B:286-357 |
| A0A3L6KZJ1 | n/a | GQJ | 5s9t | e5s9tB3 | B:169-285 |