+Open data
-Basic information
Entry | Database: PDB chemical components / ID: A4V | ||
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Name | Name: Comment | inhibitor*YM | |
-Chemical information
Composition | Formula: C12H12N5 / Number of atoms: 29 / Formula weight: 226.257 / Formal charge: 1 | ||||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: A4V / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4br3 | ||||||
History |
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External links | UniChem / ChemSpider / ChEMBL / Nikkaji / PubChem / 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-4br3:
Determination of potential scaffolds for human choline kinase alpha 1 by chemical deconvolution studies