+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 91F |
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Name | Name: |
-Chemical information
Composition | Formula: C15H12N2OS / Number of atoms: 31 / Formula weight: 268.334 / Formal charge: 0 | ||||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: 91F / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4BUA | ||||||
History |
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External links | UniChem / ChemSpider / CompTox / Nikkaji / PubChem / ZINC / 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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-SYSTEMATIC NAME
ACDLabs 12.01 | OpenEye OEToolkits 1.9.2 | |
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-PDB entries
Showing all 1 items
PDB-4bua:
Crystal structure of human tankyrase 2 in complex with 2-(4-(methylsulfanyl)phenyl)-3,4-dihydroquinazolin-4-one