PMC:7594251 / 128039-129328 JSONTXT

{"target":"https://pubannotation.org/docs/sourcedb/PMC/sourceid/7594251","sourcedb":"PMC","sourceid":"7594251","source_url":"https://www.ncbi.nlm.nih.gov/pmc/7594251","text":"Table 2 The names, structures, targets, FBDD optimization strategy used, biophysical techniques used, and status in clinical trials of select drugs derived from the FBDD approach.\nDrug (Company) Target Original Fragment(s) * Advanced Molecule and Progress in Clinical Trials Techniques Used\nVemurafenib (Plexxikon) [224,226] BRAF-V600E Approved high-concentration biochemical fragment screening, X-ray crystallography\nVenetoclax (AbbVie, Genetech) [227,228,229,230] BCL-2 Approved NMR, X-ray crystallography\nRibociclib (Novartis Europharm Limited) [231] CDK4 and 6 Information Not Available Approved Information not Available\nPLX3397 (Plexxikon) [232,233,234] FMS, KIT, and FLT3-ITD Phase 3 X-ray crystallography, Structure Confirmed by NMR, MS, and HPLC\nVerubecestat (Merck) [235,236] BACE1 Phase 3 NMR, X-ray crystallography, inhibition of cathepsin D\nOnalespib (Astex) [237,238] HSP90 Phase 2 X-ray crystallography, isothermal titration calorimetry, NMR\nAZD5099 [239,240] Topoisomerase II Phase 1 NMR, Surface Plasmon Resonance, isothermal calorimetry, X-ray cystallography\nAT7519 [241,242,243,244] CDK 1, 2, 4, and 5 Phase 2 NMR, MS, X-ray crystallography\n* Structures for some of the fragments are taken directly from Dan Erlanson’s blog at 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