+Open data
-Basic information
Entry | Database: PDB chemical components / ID: EY7 |
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Name | Name: |
-Chemical information
Composition | Formula: C12H12N2O3 / Number of atoms: 29 / Formula weight: 232.235 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: EY7 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6CEC | ||||
History |
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External links | UniChem / ChemSpider / BindingDB / ChEMBL / CompTox / PubChem / ZINC / 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 2.0.6 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.6 | |
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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 2.0.6 | |
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-PDB entries
Showing all 3 items
PDB-6cec:
Crystal structure of fragment 3-(3-Methoxy-2-quinoxalinyl)propanoic acid bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain
PDB-6zst:
Thioredoxin glutathione reductase from Schistosoma mansoni in complex with 3-(3-methoxyquinoxalin-2-yl)propanoic acid
PDB-7npx:
Thioredoxin glutathione reductase from Schistosoma mansoni in complex with 3-(3-Methoxyquinoxalin-2-yl)propanoic acid at 24 hours of soaking