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Yorodumi- ChemComp-0B6: ~{N}-[3-[(4~{S})-2-azanyl-6-(fluoranylmethyl)-4-methyl-1,3-oxazin... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 0B6 |
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Name | Name: ~{ |
-Chemical information
Composition | Formula: C19H15F2N5O2 / Number of atoms: 43 / Formula weight: 383.352 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 0B6 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5YGY | ||||
History |
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External links | UniChem / BindingDB / ChEMBL / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
CACTVS 3.385 | OpenEye OEToolkits 2.0.6 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.6 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
OpenEye OEToolkits 2.0.6 | ~{ |
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-PDB entries
Showing all 1 items
PDB-5ygy:
Crystal Structure of BACE1 in complex with (S)-N-(3-(2-amino-6-(fluoromethyl)-4 -methyl-4H-1,3-oxazin-4-yl)-4-fluorophenyl)-5-cyanopicolinamide