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 |
---|
SMILES | CCc1nc2cnc3cc(-c4c(C)noc4C)c(OC)cc3c2n1Cc1ccccn1 |(39.21,-51.97,;37.67,-51.98,;36.9,-53.31,;37.53,-54.71,;36.4,-55.74,;36.41,-57.29,;35.08,-58.06,;33.74,-57.29,;32.41,-58.07,;31.07,-57.3,;29.74,-58.07,;28.34,-57.45,;28.02,-55.94,;27.31,-58.59,;28.08,-59.93,;29.58,-59.61,;30.73,-60.64,;31.08,-55.76,;29.74,-54.99,;29.74,-53.45,;32.41,-54.99,;33.74,-55.75,;35.07,-54.98,;35.38,-53.48,;34.35,-52.34,;34.82,-50.87,;36.32,-50.56,;36.79,-49.09,;35.76,-47.95,;34.25,-48.28,;33.78,-49.74,)| |