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Yorodumi- ChemComp-GRM: N-(1,3-benzodioxol-5-ylmethyl)-1-[(1R)-1-naphthalen-1-ylethyl]pip... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: GRM |
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Name | Name: |
-Chemical information
Composition | Formula: C26H28N2O3 / Number of atoms: 59 / Formula weight: 416.512 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: GRM / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3MJ5 | ||||||
History |
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External links | UniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / PubChem / PubChem_TPharma / SureChEMBL / ZINC / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.370 | OpenEye OEToolkits 1.7.0 | |
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-SMILES CANONICAL
CACTVS 3.370 | 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
ACDLabs 12.01 | OpenEye OEToolkits 1.7.0 | |
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-PDB entries
Showing all 1 items
PDB-3mj5:
Severe Acute Respiratory Syndrome-Coronavirus Papain-Like Protease Inhibitors: Design, Synthesis, Protein-Ligand X-ray Structure and Biological Evaluation