+Open data
-Basic information
Entry | Database: PDB chemical components / ID: CB1 |
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Name | Name: |
-Chemical information
Composition | Formula: C9H8N4O5 / Number of atoms: 26 / Formula weight: 252.184 / Formal charge: 0 | ||||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: CB1 / Model coordinates PDB-ID: 1IDT | ||||||||
History |
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External links | UniChem / ChemSpider / BindingDB / Brenda / ChEMBL / ChemicalBook / CompTox / DrugBank / HMDB / PubChem / PubChem_TPharma / SureChEMBL / ZINC / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 10.04 | [CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-SMILES CANONICAL
CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 10.04 | OpenEye OEToolkits 1.5.0 | |
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-PDB entries
Showing all 5 items
PDB-1idt:
STRUCTURAL STUDIES ON A PRODRUG-ACTIVATING SYSTEM-CB1954 AND FMN-DEPENDENT NITROREDUCTASE
PDB-1xi2:
Quinone Reductase 2 in Complex with Cancer Prodrug CB1954
PDB-1zx1:
Human quinone oxidoreductase 2 (NQO2) in complex with the cytostatic prodrug CB1954
PDB-2bzs:
Binding of anti-cancer prodrug CB1954 to the activating enzyme NQO2 revealed by the crystal structure of their complex.
PDB-7ak4:
Structure of SARS-CoV-2 Main Protease bound to Tretazicar.