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Yorodumi- ChemComp-J3Y: [6-{[(1S)-1-(5-fluoropyridin-2-yl)ethyl]amino}-1-(5-methyl-1H-pyr... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: J3Y |
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Name | Name: [ |
-Chemical information
Composition | Formula: C23H24FN7O2 / Number of atoms: 57 / Formula weight: 449.481 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: J3Y / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6EBW | ||||
History |
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External links | UniChem / ChemSpider / BindingDB / ChEMBL / PubChem / 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 2.0.6 | |
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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
ACDLabs 12.01 | [OpenEye OEToolkits 2.0.6 | [ | |
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-PDB entries
Showing all 1 items
PDB-6ebw:
hALK in complex with compound 9 (6-(((1S)-1-(5-Fluoropyridin-2-yl)ethyl)amino)-1-(3-methyl-1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl)(morpholin-4-yl)methanone