Attributes
UniProt ID
Protein Name
Trypanothione reductase ,N-bisspermidine reductase
Ligand Name
(4S)-6-CHLORO-3-{2-[4-(FURAN-2-YLCARBONYL)PIPERAZIN-1-YL]ETHYL}-2-METHYL-4-PHENYL-3,4-DIHYDROQUINAZOLINE
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
LZBVDXKZVXPKHV-VWLOTQADSA-N
SMILES
CC1=Nc2ccc(cc2C(N1CCN3CCN(CC3)C(=O)c4ccco4)c5ccccc5)Cl
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 2WPC
Hover over the Mol* viewer to rotate or zoom with the mouse. Move the cursor out of the viewer to go back to normal page scrolling and one-click navigation.
Hover inside the viewer to rotate or zoom. Move out to scroll the page or click links normally.
Color Legend
Unassigned regionsLigand / hetero atomse2wpcA1e2wpcA2e2wpcA3e2wpcB1e2wpcB2e2wpcB3e2wpcC1e2wpcC2e2wpcC3e2wpcD1e2wpcD2e2wpcD3