+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 42A |
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Name | Name: |
-Chemical information
Composition | Formula: C8H5N3 / Number of atoms: 16 / Formula weight: 143.145 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 42A / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4XP0 | ||||
History |
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External links | UniChem / BindingDB / ChEMBL / ChemicalBook / CompTox / 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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-SYSTEMATIC NAME
ACDLabs 12.01 | OpenEye OEToolkits 1.9.2 | |
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-PDB entries
Showing all 4 items
PDB-4xp0:
Crystal structure of ERK2 in complex with an inhibitor
PDB-4xrl:
Crystal structure at room temperature of Erk2 in complex with an inhibitor
PDB-7eas:
Crystal structure of human pyruvate dehydrogenase kinase 2 in complex with compound 2
PDB-7ebb:
Crystal structure of human pyruvate dehydrogenase kinase 4 in complex with compound 2