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Yorodumi- ChemComp-R30: N-{4-[(1H-benzotriazol-1-ylacetyl)(thiophen-3-ylmethyl)amino]phen... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: R30 |
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Name | Name: |
-Chemical information
Composition | Formula: C22H21N5O2S / Number of atoms: 51 / Formula weight: 419.499 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: R30 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4YLU | ||||
History |
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External links | UniChem / BindingDB / Brenda / ChEBI / 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 1.9.2 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 1.9.2 | |
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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 1.9.2 | |
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-PDB entries
Showing all 2 items
PDB-4ylu:
X-ray structure of MERS-CoV nsp5 protease bound with a non-covalent inhibitor
PDB-7gd4:
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-c59291d4-2 (Mpro-x10871)