+Open data
-Basic information
Entry | Database: PDB chemical components / ID: I1B |
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Name | Name: Synonyms: 5,7-Dimethyl(1,2,4)triazolo(3,4-b)(1,3)benzothiazole |
-Chemical information
Composition | Formula: C10H9N3S / Number of atoms: 23 / Formula weight: 203.264 / Formal charge: 0 | ||||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: I1B / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7R4A | ||||||
History |
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External links | UniChem / ChemSpider / CompTox / PubChem / ZINC / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
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-InChI
InChI 1.06 |
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-InChIKey
InChI 1.06 |
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-PDB entries
Showing all 1 items
PDB-7r4a:
PARP15 catalytic domain in complex with OUL188