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Yorodumi- ChemComp-VG7: N-[(1S,2R)-1-benzyl-3-(cyclohexylamino)-2-hydroxypropyl]-3-(ethyl... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: VG7 |
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Name | Name: |
-Chemical information
Composition | Formula: C29H40N4O3 / Number of atoms: 76 / Formula weight: 492.653 / Formal charge: 0 | ||||||
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Others | Type: non-polymer / Three letter code: VG7 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 2VJ9 | ||||||
History |
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External links | UniChem / BindingDB / ChEMBL / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 10.04 | CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-SMILES CANONICAL
CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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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 1.5.0 | |
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-PDB entries
Showing all 1 items
PDB-2vj9:
Human BACE-1 in complex with N-((1S,2R)-3-(cyclohexylamino)-2-hydroxy- 1-(phenylmethyl)propyl)-3-(ethylamino)-5-(2-oxo-1-pyrrolidinyl) benzamide