+Open data
-Basic information
Entry | Database: PDB chemical components / ID: XJJ |
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Name | Name: |
-Chemical information
Composition | Formula: C4H8N2O / Number of atoms: 15 / Formula weight: 100.119 / Formal charge: 0 | ||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: XJJ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5S7O | ||||
History |
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External links | UniChem / ChEBI / ChemicalBook / CompTox / 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 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 12.01 | OpenEye OEToolkits 2.0.7 | |
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-PDB entries
Showing all 2 items
PDB-5s7o:
XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM007391c
PDB-7h86:
Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z56968535 (CHIKV_MacB-x1131)