DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
Trypanothione reductase ,N-bisspermidine reductase
Ligand Name
5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1-{[(2S)-pyrrolidin-2-yl]methyl}-1H-indole
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
QJVRHGDUROHLPF-QFIPXVFZSA-N
SMILES
c1cc2c(ccn2CC3CCCN3)cc1c4ncc(s4)C5(CCCCC5)N6CCCC6
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

Interactive Mol* view for the current protein-molecule pair.

Structure: 6OEY
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Color Legend
Unassigned regionsLigand / hetero atomse6oeyA1e6oeyA2e6oeyA3e6oeyB1e6oeyB2e6oeyB3
ECOD domains from experimental PDB structures interacting with ligand M9S
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
Q389T8n/aM9S6oeye6oeyA2A:4-168,A:286-357
Q389T8n/aM9S6oeye6oeyB1B:3-168,B:286-357