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Yorodumi- ChemComp-0EO: (2S)-2-[[(3S,4S)-5-cyclohexyl-4-[[(4S,5S)-5-[(2-methylpropan-2-yl... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 0EO |
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Name | Name: ( Synonyms: PD125754 |
-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 | P3-P2 hydroxyethylene analogue containing inhibitor (6R,7S,12R,13R,17R)-6-benzyl-12-(cyclohexylmethyl)-7,13-dihydroxy-2,2-dimethyl-17-(2-methylpropyl)- 4,10,15-trioxo-3-oxa-5,11,16-triazaoctadecan-18-oic acid |
-Chemical information
Composition | Formula: C34H55N3O8 / Number of atoms: 100 / Formula weight: 633.816 / Formal charge: 0 | ||||||
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Others | Type: peptide-like / PDB classification: HETAIN / Three letter code: 0EO / Ideal coordinates details: Corina / Model coordinates PDB-ID: 1EED / Model coordinates details: not provided / Subcomponent: BOC, FOG, CHS, LEU | ||||||
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 1.7.2 | |
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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-1eed:
X-ray crystallographic analysis of inhibition of endothiapepsin by cyclohexyl renin inhibitors