+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 33E | ||
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Name | Name: Comment | inhibitor*YM | |
-Chemical information
Composition | Formula: C7H5IN2O3 / Number of atoms: 18 / Formula weight: 292.031 / Formal charge: 0 | ||||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 33E / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4TKI | ||||||||
History |
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External links | UniChem / ChEBI / ChEMBL / ChemicalBook / CompTox / DrugBank / GtoPharmacology / HMDB / PubChem / PubChem_TPharma / 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 1.9.2 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 1.9.2 | |
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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 1.9.2 | |
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