+Open data
-Basic information
Entry | Database: PDB chemical components / ID: ES1 | ||
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Name | Name: Wikipedia | Wikipedia - 4-Quinolone: | 4-Quinolone is an organic compound derived from quinoline. It and 2-quinolone are the two most important parent (meaning simplified) quinolones... |
-Chemical information
Composition | Formula: C9H7NO / Number of atoms: 18 / Formula weight: 145.158 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: ES1 / Ideal coordinates details: Corina | ||||||
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
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
OpenEye OEToolkits 1.6.1 |
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-PDB entries
Showing all 4 items
PDB-3kpu:
Crystal Structure of hPNMT in Complex AdoHcy and 4-quinolinol
PDB-4cus:
Crystal structure of human BAZ2B in complex with fragment-4 N09496
PDB-5pbb:
PanDDA analysis group deposition -- Crystal Structure of BAZ2B in complex with N09496a
PDB-8eh1:
Engineered tyrosine synthase (TmTyrS1) derived from T. maritima TrpB with Ser bound as the amino-acrylate intermediate and complexed with 4-hydroxyquinoline