+Open data
-Basic information
Entry | Database: PDB chemical components / ID: WVI |
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Name | Name: |
-Chemical information
Composition | Formula: C8H9N3S / Number of atoms: 21 / Formula weight: 179.242 / Formal charge: 0 | ||||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: WVI / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4BDH | ||||||
History |
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External links | UniChem / ChemSpider / 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-4bdh:
Fragment-based screening identifies a new area for inhibitor binding to checkpoint kinase 2 (CHK2)