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Yorodumi- ChemComp-0DO: (2R,4S)-N-tert-butyl-1-[(2S,3S)-3-{[(2,6-dimethylphenoxy)acetyl]a... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 0DO |
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Name | Name: ( |
-BIRD information
Type | Peptide-like / Inhibitor |
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Downloads | Molecular definition / Chemical definition / Family definition |
Synonyms |
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Annotation |
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External info | |
Family | hydroxyethylamine dipeptide isostere containing inhibitor dimethylphenoxyacetyl-L-phenylalaninol-pipecolinic acid dipeptide isostere |
-Chemical information
Composition | Formula: C35H46N4O6S / Number of atoms: 92 / Formula weight: 650.828 / Formal charge: 0 | ||||||||
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Others | Type: peptide-like / PDB classification: HETAIN / Three letter code: 0DO / Ideal coordinates details: Corina / Model coordinates PDB-ID: 1IDB / Model coordinates details: not provided / Subcomponent: DBA, SZ0, NTB | ||||||||
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-1idb:
Crystal structures of HIV-2 protease in complex with inhibitors containing the hydroxyethylamine dipeptide isostere