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Yorodumi- ChemComp-5P6: 2-[(1S)-1-amino-3-methylbutyl]-6-(pyridin-4-yl)quinoline-4-carbon... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 5P6 |
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Name | Name: |
-Chemical information
Composition | Formula: C20H20N4 / Number of atoms: 44 / Formula weight: 316.4 / Formal charge: 0 | ||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: 5P6 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7RJ7 | ||||
History |
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External links | UniChem / ChEMBL / PubChem / SureChEMBL / ChemSpider / 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-7rj7:
CRYSTAL STRUCTURE OF AP2 ASSOCIATED KINASE 1 ISOFORM 1 COMPLEXED WITH LIGAND 2-(1-AMINO-3-METHYLBUTYL)-6- (PYRIDIN-4-YL)QUINOLINE-4-CARBONITRILE