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Yorodumi- ChemComp-NK7: 4-{[4-(trifluoromethyl)benzyl][(3S,4S)-4-{[4-(trifluoromethyl)ben... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: NK7 |
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Name | Name: |
-Chemical information
Composition | Formula: C27H26F6N4O3S / Number of atoms: 67 / Formula weight: 600.576 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: NK7 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3QRM | ||||||
History |
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External links | UniChem / ChemSpider / PubChem / 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-3qrm:
HIV-1 protease (mutant Q7K L33I L63I) in complex with a three-armed pyrrolidine-based inhibitor