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Yorodumi- BIRD-PRD_000319: methyl N-{(2S,4S,5S)-5-[(L-alanyl-L-alanyl)amino]-2-benzyl-4-hydr... -
+Open data
-Basic information
Entry | Database: Biologically Interesting Molecule Reference Dictionary (BIRD) / ID: PRD_000319 |
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Status | Status: REF ONLY |
Name | methyl N-{(2S,4S,5S)-5-[(L-alanyl-L-alanyl)amino]-2-benzyl-4-hydroxy-6-phenylhexanoyl}-L-valyl-L-valinate |
-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 | Phe-hydroxyethylene-isostere-based protease inhibitors methyl N-{(2S,4S,5S)-5-[(L-alanyl-L-alanyl)amino]-2-benzyl-4-hydroxy-6-phenylhexanoyl}-L-valyl-L-valinate / Ala-Ala-Phe.psi.[CH(OH)CH2]Gly-Val-Val-OCH3 |
-Chemical information
Composition | Formula: C36H53N5O7 / Formula weight: 667.835 |
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Others | Type: peptide-like |
History | |
External links | UniChem / 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 1.7.6 | |
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-SMILES CANONICAL
CACTVS 3.370 | OpenEye OEToolkits 1.7.6 | |
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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 1.7.6 | |
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-PDB entries
Showing all 1 items
PDB-1hef:
The crystal structures at 2.2 angstroms resolution of hydroxyethylene-based inhibitors bound to human immunodeficiency virus type 1 protease show that the inhibitors are present in two distinct orientations