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Yorodumi- ChemComp-NI8: (4aS,7aS)-1,4-bis[3-(hydroxymethyl)benzyl]hexahydro-1H-pyrrolo[3,... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: NI8 |
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Name | Name: ( |
-Chemical information
Composition | Formula: C22H25N3O4 / Number of atoms: 54 / Formula weight: 395.452 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: NI8 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3QP0 | ||||||
History |
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External links | UniChem / ChemSpider / PubChem / 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-3qp0:
HIV-1 protease (mutant Q7K L33I L63I) in complex with a novel inhibitor