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Yorodumi- ChemComp-JGY: 1-methyl-N-{[(2S)-oxolan-2-yl]methyl}-1H-pyrazole-3-carboxamide -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: JGY |
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Name | Name: |
-Chemical information
Composition | Formula: C10H15N3O2 / Number of atoms: 30 / Formula weight: 209.245 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: JGY / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5QE2 | ||||
History |
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External links | UniChem / BindingDB / ChEMBL / PubChem / 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 3 items
PDB-5qe2:
PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMOPL000398a
PDB-5r8q:
PanDDA analysis group deposition INTERLEUKIN-1 BETA -- Fragment Z2643472210 in complex with INTERLEUKIN-1 BETA
PDB-5rfa:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z2643472210