Attributes
UniProt ID
Protein Name
Trypanothione reductase ,N-bisspermidine reductase
Ligand Name
[4-(cyclopropanecarbonyl)piperazin-1-yl](furan-2-yl)methanone
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
SMBREKYBPARCFW-UHFFFAOYSA-N
SMILES
c1cc(oc1)C(=O)N2CCN(CC2)C(=O)C3CC3
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 5S9U
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Color Legend
Unassigned regionsLigand / hetero atomse5s9uA1e5s9uA2e5s9uA3e5s9uB1e5s9uB2e5s9uB3
ECOD domains from experimental PDB structures interacting with ligand JMM
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| A0A3L6KZJ1 | n/a | JMM | 5s9u | e5s9uA1 | A:358-488 |
| A0A3L6KZJ1 | n/a | JMM | 5s9u | e5s9uA2 | A:3-168,A:286-357 |
| A0A3L6KZJ1 | n/a | JMM | 5s9u | e5s9uA3 | A:169-285 |
| A0A3L6KZJ1 | n/a | JMM | 5s9u | e5s9uB1 | B:169-285 |
| A0A3L6KZJ1 | n/a | JMM | 5s9u | e5s9uB2 | B:358-485 |
| A0A3L6KZJ1 | n/a | JMM | 5s9u | e5s9uB3 | B:3-168,B:286-357 |