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Attributes

UniProt ID
Protein Name
Integrase
Ligand Name
5-[[[2-[(4-methoxyphenyl)methylcarbamoyl]phenyl]methyl-prop-2-enyl-amino]methyl]-1,3-benzodioxole-4-carboxylic acid
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
WRLIFDLBMCTVHJ-UHFFFAOYSA-N
SMILES
COc1ccc(cc1)CNC(=O)c2ccccc2CN(CC=C)Cc3ccc4c(c3C(=O)O)OCO4
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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Structure: 3ZCM
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Color Legend
Unassigned regionsLigand / hetero atomse3zcmA1e3zcmB2
ECOD domains from experimental PDB structures interacting with ligand PX3
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
Q76353n/aPX33zcme3zcmA1A:57-209
Q76353n/aPX33zcme3zcmB2B:57-209