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Yorodumi- ChemComp-BX2: (5S)-2-amino-5-(2,6-diethylpyridin-4-yl)-3-methyl-5-(3-pyrimidin-... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: BX2 |
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Name | Name: ( |
-Chemical information
Composition | Formula: C23H24N6O / Number of atoms: 54 / Formula weight: 400.476 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: BX2 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3IN4 | ||||||
History |
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External links | UniChem / ChemSpider / BindingDB / ChEMBL / PubChem / PubChem_TPharma / SureChEMBL / ZINC / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 11.02 | CACTVS 3.352 | OpenEye OEToolkits 1.7.0 | |
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-SMILES CANONICAL
CACTVS 3.352 | OpenEye OEToolkits 1.7.0 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 11.02 | (OpenEye OEToolkits 1.6.1 | ( | |
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-PDB entries
Showing all 1 items
PDB-3in4:
Bace1 with Compound 38