Discovery and Structure-Based optimization of potent and selective WDR5 inhibitors containing a dihydroisoquinolinone bicyclic core

Discovery and Structure-Based Optimization of Potent and Selective WD Repeat Domain 5 (WDR5) Inhibitors Containing a Dihydroisoquinolinone Bicyclic Core.

SATQSKPTPVKPNYALKFTLAGHTKAVSSVKFSPNGEWLASSSADKLIKIWGAYDGKFEKTISGHKLGISDVAWSSDSNL
LVSASDDKTLKIWDVSSGKCLKTLKGHSNYVFCCNFNPQSNLIVSGSFDESVRIWDVKTGKCLKTLPAHSDPVSAVHFNR
DGSLIVSSSYDGLCRIWDTASGQCLKTLIDDDNPPVSFVKFSPNGKYILAATLDNTLKLWDYSKGKCLKTYTGHKNEKYC
IFANFSVTGGKWIVSGSEDNLVYIWNLQTKEIVQKLQGHTDVVISTACHPTENIIASAALENDKTIKLWKSDC

National Institutes of Health/National Cancer Institute (NIH/NCI)

WDR5, structure-based design, mixed-lineage leukemia, TRANSCRIPTION

(chain A and ((resid 31 and (name N or name CA or name C or name O or name CB )) or resid 32 through 90 or resid 92 through 96 or resid 98 through 109 or resid 111 through 119 or (resid 120 and (name N or name CA or name C or name O or name CB )) or resid 121 through 153 or resid 155 through 210 or resid 214 through 334))

(chain B and ((resid 31 and (name N or name CA or name C or name O or name CB )) or resid 32 through 90 or resid 92 through 96 or resid 98 through 108 or (resid 109 and (name N or name CA or name C or name O or name CB or name CG or name CD or name CE )) or resid 111 through 153 or resid 155 through 158 or (resid 159 and (name N or name CA or name C or name O or name CB )) or resid 160 through 161 or (resid 162 and (name N or name CA or name C or name O or name CB )) or resid 163 through 334))