+Open data
-Basic information
Entry | Database: PDB chemical components / ID: TIY |
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Name | Name: |
-Chemical information
Composition | Formula: C11H8O5 / Number of atoms: 24 / Formula weight: 220.178 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: TIY / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3TIY | ||||||
History |
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External links | UniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / HMDB / KEGG_Ligand / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.370 | OpenEye OEToolkits 1.7.6 | |
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-SMILES CANONICAL
CACTVS 3.370 | 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
ACDLabs 12.01 | OpenEye OEToolkits 1.7.6 | |
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-PDB entries
Showing all 4 items
PDB-3tiy:
CDK2 in complex with NSC 35676
PDB-4g2o:
Human Thymidylate Synthase M190K with bound Purpurogallin
PDB-4gd7:
Wild-Type Human Thymidylate Synthase with bound Purpurogallin
PDB-6fl8:
Inositol 1,3,4,5,6-pentakisphosphate 2-kinase from A. thaliana in complex with purpurogallin and ADP