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Yorodumi- ChemComp-P6J: N-{3-[(1S,5S,6S)-3-amino-1-(methoxymethyl)-5-methyl-2-thia-4-azab... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: P6J |
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Name | Name: |
-Chemical information
Composition | Formula: C22H21F2N5O3S / Number of atoms: 54 / Formula weight: 473.496 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: P6J / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6PZ4 | ||||
History |
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External links | UniChem / ChemSpider / BindingDB / ChEMBL / GtoPharmacology / PubChem / SureChEMBL / 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 2.0.7 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
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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 2.0.7 | ~{ | |
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-PDB entries
Showing all 1 items
PDB-6pz4:
co-crystal structure of BACE with inhibitor AM-6494