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Yorodumi- ChemComp-A69: N-{(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(3-phenylpropyl)amin... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: A69 |
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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: C33H33N3O5S2 / Number of atoms: 76 / Formula weight: 615.762 / Formal charge: 0 | ||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: A69 / Ideal coordinates details: Corina / Subcomponent: 3HB, FF0, B6S | ||
History |
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External links | UniChem / ChemSpider / BindingDB / 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 1.7.2 | |
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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-3sa5:
Crystal structure of wild-type HIV-1 protease in complex with AF69