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Yorodumi- ChemComp-2TA: N-tert-butyl-3-{[5-methyl-2-({4-[2-(pyrrolidin-1-yl)ethoxy]phenyl... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 2TA | ||||
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Name | Name: Synonyms: Fedratinib Wikipedia | Wikipedia - Fedratinib: |
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 | Formula: C27H36N6O3S / Number of atoms: 73 / Formula weight: 524.678 / Formal charge: 0 | ||||||||
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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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External links | UniChem / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / DrugBank / GtoPharmacology / HMDB / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / 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 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
PDB-4ogj:
Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor TG-101348
PDB-4ps5:
Crystal structure of the first bromodomain of human BRD4 in complex with TG101348
PDB-6vne:
JAK2 JH1 in complex with Fedratinib
PDB-8xv9:
Fedratinib-bound human SLC19A3