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Yorodumi- ChemComp-68K: N-(6-{2-[2-(2-amino-3-{3-[(3,3-dimethylbutyl)amino]-3-oxopropyl}q... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 68K |
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Name | Name: |
-Chemical information
Composition | Formula: C38H40FN5O2 / Number of atoms: 86 / Formula weight: 617.755 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 68K / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5I3Y | ||||
History |
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External links | UniChem / ChemSpider / BindingDB / ChEMBL / Nikkaji / PubChem / ZINC / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.385 | OpenEye OEToolkits 2.0.4 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.4 | |
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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 2.0.4 | ~{ | |
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-PDB entries
Showing all 1 items
PDB-5i3y:
Crystal structure of BACE1 in complex with aminoquinoline inhibitor 9