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- ChemComp-2TA: N-tert-butyl-3-{[5-methyl-2-({4-[2-(pyrrolidin-1-yl)ethoxy]phenyl... -
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Open data
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Basic information
Entry | ![]() | ||||
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Name | Name: Synonyms: Fedratinib Wikipedia | ![]()
Fedratinib, sold under the brand name Inrebic, is an anti-cancer medication used to treat myeloproliferative diseases including myelofibrosis. It is used in the form of fedratinib hydrochloride capsules that are taken by mouth... Comment | medication, anticancer*YM | |
-Chemical information
Composition | |||||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 2TA / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4OGJ | ||||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.385 | OpenEye OEToolkits 1.7.6 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 1.7.6 | |
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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 1.7.6 | |
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-PDB entries
Showing all 4 items
![](data/pdb/img/4ogj.jpg)
PDB-4ogj:
Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor TG-101348
![](data/pdb/img/4ps5.jpg)
PDB-4ps5:
Crystal structure of the first bromodomain of human BRD4 in complex with TG101348
![](data/pdb/img/6vne.jpg)
PDB-6vne:
JAK2 JH1 in complex with Fedratinib
![](data/pdb/img/8xv9.jpg)
PDB-8xv9:
Fedratinib-bound human SLC19A3