+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 6ZV | ||||
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Name | Name: Synonyms: Abemaciclib Wikipedia | Wikipedia - Abemaciclib: |
Abemaciclib, sold under the brand name Verzenio among others, is a medication for the treatment of advanced or metastatic breast cancers. It was developed by Eli Lilly and it acts as a CDK inhibitor selective for CDK4 and CDK6. It was designated as a breakthrough therapy for breast cancer by the US Food and Drug Administration (FDA) in October 2015. In September 2017, it was approved for use in the United States by the FDA for the treatment of certain breast cancers. ...Comment | medication, inhibitor*YM | |
-Chemical information
Composition | Formula: C27H32F2N8 / Number of atoms: 69 / Formula weight: 506.593 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 6ZV / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5L2S | ||||||
History |
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External links | BindingDB / UniChem / ChEMBL / ChemicalBook / CompTox / DailyMed / 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 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 4 items
PDB-5l2s:
The X-ray co-crystal structure of human CDK6 and Abemaciclib.
PDB-7o7j:
Crystal structure of the human HIPK3 kinase domain bound to abemaciclib
PDB-7o7k:
Crystal structure of the human DYRK1A kinase domain bound to abemaciclib
PDB-7sj3:
Structure of CDK4-Cyclin D3 bound to abemaciclib