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Yorodumi- ChemComp-55A: N~2~-acetyl-N-[(2S,3R)-4-{(1,3-benzothiazol-6-ylsulfonyl)[(2S)-2-... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 55A |
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Name | Name: |
-BIRD information
Type | Peptide-like / Inhibitor |
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Details |
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Downloads | Molecular definition / Chemical definition |
-Chemical information
Composition | Formula: C30H42N4O5S2 / Number of atoms: 83 / Formula weight: 602.808 / Formal charge: 0 | ||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 55A / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3SA7 / Subcomponent: ACE, LEU, FI0, B6S | ||
History |
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External links | UniChem / PubChem / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.370 | OpenEye OEToolkits 1.7.2 | |
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-SMILES CANONICAL
CACTVS 3.370 | OpenEye OEToolkits 1.7.2 | |
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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 1.7.2 | ( | |
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-PDB entries
Showing all 1 items
PDB-3sa7:
Crystal structure of wild-type HIV-1 protease in complex with AF55