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Attributes

UniProt ID
Protein Name
Integrase
Ligand Name
5-({[2-(benzylcarbamoyl)benzyl](prop-2-en-1-yl)amino}methyl)-1,3-benzodioxole-4-carboxylate
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
GNIJPYFYNUUVOY-UHFFFAOYSA-M
SMILES
C=CCN(Cc1ccccc1C(=O)NCc2ccccc2)Cc3ccc4c(c3C(=O)[O-])OCO4
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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Structure: 3ZSX
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Color Legend
Unassigned regionsLigand / hetero atomse3zsxA2e3zsxB2
ECOD domains from experimental PDB structures interacting with ligand N44
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
Q76353n/aN443zsxe3zsxA2A:57-209
Q76353n/aN443zsxe3zsxB2B:57-209