+Open data
-Basic information
Entry | Database: PDB chemical components / ID: P06 | ||
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Name | Name: Synonyms: N-{3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl}-2,6-difluorobenzenesulfonamide Comment | medication, anticancer, inhibitor*YM | |
-Chemical information
Composition | Formula: C23H20F3N5O2S2 / Number of atoms: 55 / Formula weight: 519.562 / Formal charge: 0 | ||||||||
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Others | 4k1a | ||||||||
History |
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External links | UniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / DailyMed / DrugBank / GtoPharmacology / HMDB / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / 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 6 items
PDB-4xv2:
B-Raf Kinase V600E oncogenic mutant in complex with Dabrafenib
PDB-5csw:
B-RAF in complex with Dabrafenib
PDB-5hie:
BRAF Kinase domain b3aC loop deletion mutant in complex with dabrafenib
PDB-6hj2:
Crystal structure of hPXR in complex with dabrafenib
PDB-6v2u:
Crystal structure of the insect cell-expressed WT-BRAF kinase in complex with Dabrafenib
PDB-7riv:
human PXR LBD bound to GSK001