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Attributes

UniProt ID
Protein Name
Integrase
Ligand Name
(2S)-tert-butoxy[3-(3,4-dihydro-2H-1-benzopyran-6-yl)-1-phenylisoquinolin-4-yl]acetic acid
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
GRBTZWPTEUUFTN-NDEPHWFRSA-N
SMILES
CC(C)(C)OC(c1c2ccccc2c(nc1c3ccc4c(c3)CCCO4)c5ccccc5)C(=O)O
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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Structure: 6EB1
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Color Legend
Unassigned regionsLigand / hetero atomse6eb1A1
ECOD domains from experimental PDB structures interacting with ligand J3M
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
F2WR52n/aJ3M6eb1e6eb1A1A:56-207