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Yorodumi- ChemComp-LAJ: N-methyl-4-{[2-(methylsulfonyl)phenyl]amino}-6-[(pyridin-2-yl)ami... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: LAJ |
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Name | Name: |
-Chemical information
Composition | Formula: C18H18N6O3S / Number of atoms: 46 / Formula weight: 398.439 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: LAJ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6NZR | ||||
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 2.0.7 | |
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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-6nzr:
CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH Compound_12 AKA 4-[(2-methanesulfonylphenyl)amino]-N-(H3)methyl-6-[(pyridin-2- yl)amino]pyridazine-3-carboxamide