+Open data
-Basic information
Entry | Database: PDB chemical components / ID: W6P |
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Name | Name: |
-Chemical information
Composition | Formula: C8H7NO / Number of atoms: 17 / Formula weight: 133.147 / Formal charge: 0 | ||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: W6P / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5RUX | ||||
History |
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External links | UniChem / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / HMDB / KEGG_Ligand / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / Rhea / 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 2.0.7 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
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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 2.0.7 | |
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-PDB entries
Showing all 3 items
PDB-5rux:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000002020050
PDB-7ea0:
Crystal structure of human pyruvate dehydrogenase kinase 2 in complex with compound 1
PDB-7eat:
Crystal structure of human pyruvate dehydrogenase kinase 4 in complex with compound 1