DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
Trypanothione reductase ,N-bisspermidine reductase
Ligand Name
3-[(4S)-6-CHLORO-2-METHYL-4-(4-METHYLPHENYL)QUINAZOLIN-3(4H)-YL]-N,N-DIMETHYLPROPAN-1-AMINE
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
RZVYHDCYMAMDJY-NRFANRHFSA-N
SMILES
Cc1ccc(cc1)C2c3cc(ccc3N=C(N2CCCN(C)C)C)Cl
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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

Structure: 2WPF
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Color Legend
Unassigned regionsLigand / hetero atomse2wpfA1e2wpfA2e2wpfA3e2wpfB1e2wpfB2e2wpfB3e2wpfC1e2wpfC2e2wpfC3e2wpfD1e2wpfD2e2wpfD3
ECOD domains from experimental PDB structures interacting with ligand WPF
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P39051n/aWPF2wpfe2wpfA2A:-1-168,A:286-357
P39051n/aWPF2wpfe2wpfB2B:2-168,B:286-357
P39051n/aWPF2wpfe2wpfC2C:3-168,C:286-357
P39051n/aWPF2wpfe2wpfD2D:-2-168,D:286-357