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Yorodumi- ChemComp-C81: (4R)-4-[(1S)-1-fluoroethyl]-3-[2-({(1S)-1-[4-methyl-2'-(trifluoro... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: C81 |
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Name | Name: ( |
-Chemical information
Composition | Formula: C23H22F4N6O2 / Number of atoms: 57 / Formula weight: 490.453 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: C81 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6B0Z | ||||
History |
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External links | BindingDB / UniChem / ChEMBL / ChemicalBook / 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 2.0.6 | |
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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-6b0z:
IDH1 R132H mutant in complex with IDH305