+Open data
-Basic information
Entry | Database: PDB chemical components / ID: YI6 |
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Name | Name: |
-Chemical information
Composition | Formula: C10H12O3 / Number of atoms: 25 / Formula weight: 180.2 / Formal charge: 0 | ||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: YI6 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5FNJ | ||||
History |
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External links | UniChem / 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
CACTVS 3.385 | OpenEye OEToolkits 1.7.6 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 1.7.6 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
OpenEye OEToolkits 1.7.6 |
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-PDB entries
Showing all 5 items
PDB-5fnj:
Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination
PDB-5rkv:
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z56877838
PDB-6t8t:
3C-like protease from Southampton virus complexed with FMOPL000603a.
PDB-7bd5:
Notum Fragment 830
PDB-8plg:
Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 17.