Citation | Jones, KL; Beaumont, DM; Bernard, SG; Bit, RA; Campbell, SP; Chung, CW; Cutler, L; Demont, EH; Dennis, K; Gordon, L; Gray, JR; Haase, MV; Lewis, AJ; McCleary, S; Mitchell, DJ; Moore, SM; Parr, N; Robb, OJ; Smithers, N; Soden, PE; Suckling, CJ; Taylor, S; Walker, AL; Watson, RJ; Prinjha, RK Discovery of a Novel Bromodomain and Extra Terminal Domain (BET) Protein Inhibitor, I-BET282E, Suitable for Clinical Progression. J Med Chem64:12200-12227 (2021) [PubMed] Article |
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SMILES | COc1cc2c3n(Cc4ccccn4)c(N)nc3cnc2cc1-c1c(C)noc1C |(13.99,-7.02,;13.99,-8.56,;15.33,-9.33,;16.66,-8.56,;17.99,-9.33,;19.32,-8.55,;19.63,-7.05,;18.6,-5.91,;19.07,-4.45,;20.57,-4.13,;21.05,-2.67,;20.01,-1.52,;18.5,-1.86,;18.03,-3.32,;21.16,-6.89,;21.92,-5.55,;21.78,-8.29,;20.65,-9.32,;20.66,-10.86,;19.33,-11.64,;17.99,-10.87,;16.66,-11.65,;15.33,-10.88,;13.99,-11.65,;12.59,-11.03,;12.27,-9.52,;11.56,-12.17,;12.33,-13.5,;13.83,-13.18,;14.98,-14.21,)| |