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- ChemComp-73T: 6-Fluoro-5-(R)-(3-(S)-(8-fluoro-1-methyl-2,4-dioxo-1,2-dihydroqui... -
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Open data
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Basic information
Entry | ![]() |
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Name | Name: Synonyms: (2S)-6-fluoro-5-[3-(8-fluoro-1-methyl-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)-2-methylphenyl]-2-(2-hydroxypropan-2-yl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxamide |
-Chemical information
Composition | |||||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 73T / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5T18 | ||||||||
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.385 | OpenEye OEToolkits 2.0.5 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.5 | |
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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 2.0.5 | ( | |
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-PDB entries
Showing all 1 items
![](data/pdb/img/5t18.jpg)
PDB-5t18:
Crystal structure of Bruton agammabulinemia tyrosine kinase complexed with BMS-986142 aka (2s)-6-fluoro-5-[3-(8-fluoro-1-methyl-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-2-methylphenyl]-2-(2-hydroxypropan-2-yl)-2,3,4,9-tetrahydro-1h-carbazole-8-carboxamide