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Attributes

UniProt ID
Protein Name
Poly polymerase tankyrase-1
Ligand Name
2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-[(4-oxo-3,5,7,8-tetrahydro-4H-pyrano[4,3-d]pyrimidin-2-yl)methyl]-N-(thiophen-2-ylmethyl)acetamide
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
SUKHPNUTRMBUST-UHFFFAOYSA-N
SMILES
c1cc(sc1)CN(CC2=NC3=C(COCC3)C(=O)N2)C(=O)CN4CCC(CC4)C(=O)c5ccc(cc5)F
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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Structure: 4LI8
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Color Legend
Unassigned regionsLigand / hetero atomse4li8A1e4li8B1
ECOD domains from experimental PDB structures interacting with ligand 1XQ
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
O95271n/a1XQ4li8e4li8A1A:1105-1313
O95271n/a1XQ4li8e4li8B1B:1105-1314