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Yorodumi- ChemComp-2YQ: (8S,9R)-5-fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 2YQ | ||||
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Name | Name: ( Synonyms: Talazoparib Wikipedia | Wikipedia - Talazoparib: |
Talazoparib, sold under the brand name Talzenna, is an anti-cancer medication used for the treatment of breast cancer and prostate cancer. It is an orally available poly ADP ribose polymerase PARP inhibitor marketed by Pfizer for the treatment of advanced breast cancer with germline BRCA mutations... Comment | medication, anticancer, inhibitor*YM | |
-Chemical information
Composition | Formula: C19H14F2N6O / Number of atoms: 42 / Formula weight: 380.351 / Formal charge: 0 | ||||||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 2YQ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4PJT | ||||||||||
History |
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External links | BindingDB / UniChem / ChEMBL / ChemicalBook / DailyMed / DrugBank / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.385 | OpenEye OEToolkits 1.9.2 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 1.9.2 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-PDB entries
Showing all 5 items
PDB-4pjt:
Structure of PARP1 catalytic domain bound to inhibitor BMN 673
PDB-4pjv:
Structure of PARP2 catalytic domain bound to inhibitor BMN 673
PDB-4und:
HUMAN ARTD1 (PARP1) - CATALYTIC DOMAIN IN COMPLEX WITH INHIBITOR TALAZOPARIB
PDB-7kk3:
Structure of the catalytic domain of PARP1 in complex with talazoparib
PDB-7kkn:
Structure of the catalytic domain of tankyrase 1 in complex with talazoparib