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Yorodumi- ChemComp-S89: N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-Nalpha-[(2E)-3-phenylprop-... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: S89 |
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Name | Name: |
-BIRD information
Type | Peptide-like / Enzyme 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 | phenyl-phenylalaninal inhibitor N-[(2S)-1-HYDROXY-3-PHENYLPROPAN-2-YL]-NALPHA-[(2E)-3-PHENYLPROP-2-ENOYL]-L-PHENYLALANINAMIDE |
-Chemical information
Composition | Formula: C27H28N2O3 / Number of atoms: 60 / Formula weight: 428.523 / Formal charge: 0 | ||||||
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Others | Type: peptide-like / PDB classification: HETAIN / Three letter code: S89 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3SN8 / Subcomponent: TCA, PHE, PHL | ||||||
History |
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External links | UniChem / BindingDB / 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-3sn8:
Crystal structure of SARS coronavirus main protease complexed with Cm-FF-H (soaking)