+Open data
-Basic information
Entry | Database: PDB chemical components / ID: ES7 |
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Name | Name: |
-Chemical information
Composition | Formula: C8H9N3 / Number of atoms: 20 / Formula weight: 147.177 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: ES7 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3KQT | ||||||
History |
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External links | UniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
CACTVS 3.352 | OpenEye OEToolkits 1.7.0 | |
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-SMILES CANONICAL
CACTVS 3.352 | OpenEye OEToolkits 1.7.0 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
OpenEye OEToolkits 1.6.1 |
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-PDB entries
Showing all 3 items
PDB-3kqt:
Crystal Structure of hPNMT in Complex AdoHcy and 2-Amino-1-methylbenzimidazole
PDB-5qek:
PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMOZE000092b
PDB-7h8k:
Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z56791928 (CHIKV_MacB-x1203)