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Yorodumi- ChemComp-1E8: 1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidi... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 1E8 | ||
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Name | Name: Synonyms: Imbruvica; PCI-32765 Wikipedia | Wikipedia - Ibrutinib: |
Ibrutinib, sold under the brand name Imbruvica among others, is a small molecule drug that inhibits B-cell proliferation and survival by irreversibly binding the protein Bruton's tyrosine kinase (BTK). Blocking BTK inhibits the B-cell receptor pathway, which is often aberrantly active in B cell cancers... |
-Chemical information
Composition | Formula: C25H24N6O2 / Number of atoms: 57 / Formula weight: 440.497 / Formal charge: 0 | ||||||||||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 100000000 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4IFG | ||||||||||||||
History |
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External links | BindingDB / Brenda / UniChem / ChEBI / ChEMBL / ChemicalBook / CompTox / DailyMed / DrugBank / GtoPharmacology / 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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