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Yorodumi- ChemComp-40L: 5-fluoro-3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)propyl]quinazolin... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 40L | ||||
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Name | Name: Wikipedia | Wikipedia - Idelalisib: Idelalisib, sold under the brand name Zydelig, is a medication used to treat certain blood cancers. Idelalisib acts as a phosphoinositide 3-kinase inhibitor; more specifically, it blocks P110δ, the delta isoform of the enzyme phosphoinositide 3-kinase... | Comment | medication, inhibitor*YM | |
-Chemical information
Composition | Formula: C22H18FN7O / Number of atoms: 49 / Formula weight: 415.423 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 40L / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4XE0 | ||||
History |
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External links | BindingDB / Brenda / UniChem / ChEBI / ChEMBL / ChemicalBook / 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 1.9.2 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 1.9.2 | |
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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 1.9.2 | |
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-PDB entries
Showing all 1 items
PDB-4xe0:
Idelalisib bound to the p110 subunit of PI3K delta