+Open data
-Basic information
Entry | Database: PDB chemical components / ID: XO9 |
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Name | Name: |
-Chemical information
Composition | Formula: C7H5NS2 / Number of atoms: 15 / Formula weight: 167.251 / Formal charge: 0 | ||||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: XO9 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 8FAL | ||||||
History |
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External links | UniChem / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / DrugBank / HMDB / KEGG_Ligand / Metabolights / NMRShiftDB / Nikkaji / 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 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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-SYSTEMATIC NAME
ACDLabs 12.01 | OpenEye OEToolkits 2.0.7 | |
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-PDB entries
Showing all 1 items
PDB-8fal:
Masking thiol reactivity with thioamide-based MBPs- carbonic anhydrase II complexed with benzo[d]thiazole-2(3H)-thione