DrugDomain logoDrugDomain

Attributes

UniProt ID
R4NN21
Protein Name
Hemagglutinin
Ligand Name
ethyl 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate
DrugBank ID
DB13609
PDB Ligand Accession
75U
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
KCFYEAOKVJSACF-UHFFFAOYSA-N
SMILES
CCOC(=O)c1c(n(c2c1c(c(c(c2)Br)O)CN(C)C)C)CSc3ccccc3
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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

Mol*
Structure: 5T6S
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Color Legend
Unassigned regionsLigand / hetero atomse5t6sA1e5t6sB1e5t6sC1e5t6sD1e5t6sE1e5t6sF1e5t6sG1e5t6sH1e5t6sI1e5t6sJ1e5t6sK1e5t6sL1
ECOD domains from experimental PDB structures interacting with ligand DB13609
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
R4NN21DB1360975U5t6se5t6sA1A:11-325
R4NN21DB1360975U5t6se5t6sB1B:1-171
R4NN21DB1360975U5t6se5t6sC1C:11-325
R4NN21DB1360975U5t6se5t6sD1D:1-171
R4NN21DB1360975U5t6se5t6sE1E:11-325
R4NN21DB1360975U5t6se5t6sF1F:1-171
R4NN21DB1360975U5t6se5t6sG1G:11-325
R4NN21DB1360975U5t6se5t6sH1H:1-171
R4NN21DB1360975U5t6se5t6sI1I:11-325
R4NN21DB1360975U5t6se5t6sJ1J:1-171
R4NN21DB1360975U5t6se5t6sK1K:11-325
R4NN21DB1360975U5t6se5t6sL1L:1-171