+Open data
-Basic information
Entry | Database: PDB chemical components / ID: JGD |
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Name | Name: |
-Chemical information
Composition | Formula: C7H10N2 / Number of atoms: 19 / Formula weight: 122.168 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: JGD / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5QDQ | ||||
History |
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External links | UniChem / ChEBI / ChEMBL / ChemicalBook / CompTox / HMDB / NMRShiftDB / 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 2.0.6 | |
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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 5 items
PDB-5qdq:
PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_XST00000847b
PDB-5qoh:
PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with XST00000847b
PDB-5sl8:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z2856434762
PDB-7fqv:
PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with XST00000847b
PDB-7frh:
PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with Z2856434762