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Yorodumi- ChemComp-XFI: N-((1S,2R)-3-(((1S)-2-(CYCLOHEXYLAMINO)-1-METHYL-2-OXOETHYL)AMINO... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: XFI |
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Name | Name: |
-Chemical information
Composition | Formula: C33H42N4O5S / Number of atoms: 85 / Formula weight: 606.775 / Formal charge: 0 | ||||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: XFI / Ideal coordinates details: Corina / Model coordinates PDB-ID: 2XFI | ||||||
History |
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External links | UniChem / BindingDB / ChEMBL / PubChem / PubChem_TPharma / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 10.04 | CACTVS 3.352 | OpenEye OEToolkits 1.6.1 | |
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-SMILES CANONICAL
CACTVS 3.352 | OpenEye OEToolkits 1.6.1 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 10.04 | OpenEye OEToolkits 1.6.1 | |
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-PDB entries
Showing all 1 items
PDB-2xfi:
Human BACE-1 in complex with N-((1S,2R)-3-(((1S)-2-(cyclohexylamino)- 1-methyl-2-oxoethyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)-3-((methylsulfonyl)(phenyl)amino)benzamide