+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 4BL |
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Name | Name: |
-Chemical information
Composition | Formula: C10H9NO2 / Number of atoms: 22 / Formula weight: 175.184 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 4BL / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3KAB | ||||||
History |
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External links | UniChem / BindingDB / ChEMBL / ChemicalBook / CompTox / PubChem / SureChEMBL / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 11.02 | CACTVS 3.352 | OpenEye OEToolkits 1.7.0 | |
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-SMILES CANONICAL
CACTVS 3.352 | OpenEye OEToolkits 1.7.0 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 11.02 | OpenEye OEToolkits 1.6.1 | |
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-PDB entries
Showing all 3 items
PDB-3kab:
Structure-guided design of alpha-amino acid-derived Pin1 inhibitors
PDB-5rt0:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000002582714
PDB-5rvt:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000002582714