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Yorodumi- ChemComp-Y6J: ~{N}-[4-[2-(benzotriazol-1-yl)ethanoyl-(thiophen-3-ylmethyl)amino... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: Y6J |
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Name | Name: ~{ |
-Chemical information
Composition | Formula: C23H21N5O2S / Number of atoms: 52 / Formula weight: 431.51 / Formal charge: 0 | ||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: Y6J / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7LME | ||||
History |
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External links | UniChem / BindingDB / Brenda / ChEMBL / PubChem / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
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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-PDB entries
Showing all 2 items
PDB-7gd3:
Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with ALP-POS-c59291d4-3 (Mpro-x10870)
PDB-7lme:
SARS-CoV-2 3CLPro in complex with N-[4-[[2-(benzotriazol-1-yl)acetyl]-(3-thienylmethyl)amino]phenyl]cyclopropanecarboxamide