DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
Trypanothione reductase ,N-bisspermidine reductase
Ligand Name
4-[[1-(4-ethylphenyl)-2-methyl-5-(4-methylsulfanylphenyl)pyrrol-3-yl]methyl]thiomorpholine
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
NFXQXSBKNGTIEG-UHFFFAOYSA-N
SMILES
CCc1ccc(cc1)n2c(c(cc2c3ccc(cc3)SC)CN4CCSCC4)C
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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Structure: 4APN
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Color Legend
Unassigned regionsLigand / hetero atomse4apnA1e4apnA2e4apnA3e4apnB4e4apnB5e4apnB6
ECOD domains from experimental PDB structures interacting with ligand JV0
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
A4HSF7n/aJV04apne4apnA2A:1-169,A:287-358
A4HSF7n/aJV04apne4apnB4B:359-488