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Yorodumi- ChemComp-8YD: 1-{4-[6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 8YD |
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Name | Name: Synonyms: KRAS(G12C) inhibitor, acrylamide form, bound form |
-Chemical information
Composition | Formula: C23H22ClFN6O / Number of atoms: 54 / Formula weight: 452.912 / Formal charge: 0 | ||||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 8YD / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5V6S | ||||||||
History |
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External links | UniChem / ChemSpider / PubChem / SureChEMBL / 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-5v6s:
Crystal structure of small molecule acrylamide 1 covalently bound to K-Ras G12C