[English] 日本語
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 | ||
---|---|---|---|
Name | Name: ( Synonyms: Talazoparib Comment | medication, anticancer, inhibitor*YM | |
-Chemical information
Composition | Formula: C19H14F2N6O / Number of atoms: 42 / Formula weight: 380.351 / Formal charge: 0 | ||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|
Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 2YQ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4PJT | ||||||||||
History |
| ||||||||||
External links | UniChem / ChemSpider / BindingDB / ChEMBL / ChemicalBook / DailyMed / DrugBank / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
---|
-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.385 | OpenEye OEToolkits 1.9.2 | |
---|
-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 1.9.2 | |
---|
-InChI
InChI 1.03 |
---|
-InChIKey
InChI 1.03 |
---|
-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