+Open data
-Basic information
Entry | Database: PDB chemical components / ID: R2N |
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Name | Name: |
-Chemical information
Composition | Formula: C10H8BrNO2 / Number of atoms: 22 / Formula weight: 254.08 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: R2N / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5FPY | ||||
History |
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External links | UniChem / BindingDB / ChEMBL / Nikkaji / PubChem / SureChEMBL / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
CACTVS 3.385 | OpenEye OEToolkits 1.7.6 | |
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-SMILES CANONICAL
CACTVS 3.385 | 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
OpenEye OEToolkits 1.7.6 |
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-PDB entries
Showing all 1 items
PDB-5fpy:
Structure of hepatitis C virus (HCV) full-length NS3 complex with small-molecule ligand 5-bromo-1-methyl-1H-indole-2-carboxylic acid (AT21457) in an alternate binding site.