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Yorodumi- ChemComp-83Q: 6-[4-(aminomethyl)-4-methyl-piperidin-1-yl]-3-[2,3-bis(chloranyl)... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 83Q |
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Name | Name: |
-Chemical information
Composition | Formula: C17H21Cl2N5S / Number of atoms: 46 / Formula weight: 398.353 / Formal charge: 0 | ||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: 83Q / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7VXG | ||||
History |
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External links | UniChem / ChemSpider / ChEMBL / PubChem / SureChEMBL / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
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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-PDB entries
Showing all 1 items
PDB-7vxg:
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor TK-453