Citation | Selness, SR; Devraj, RV; Devadas, B; Walker, JK; Boehm, TL; Durley, RC; Shieh, H; Xing, L; Rucker, PV; Jerome, KD; Benson, AG; Marrufo, LD; Madsen, HM; Hitchcock, J; Owen, TJ; Christie, L; Promo, MA; Hickory, BS; Alvira, E; Naing, W; Blevis-Bal, R; Messing, D; Yang, J; Mao, MK; Yalamanchili, G; Vonder Embse, R; Hirsch, J; Saabye, M; Bonar, S; Webb, E; Anderson, G; Monahan, JB Discovery of PH-797804, a highly selective and potent inhibitor of p38 MAP kinase. Bioorg Med Chem Lett21:4066-71 (2011) [PubMed] Article |
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SMILES | CNC(=O)c1ccc(F)c(c1)-n1c(C)cc(OCc2ccc(F)cc2F)c(Br)c1=O |(21.06,-26.62,;21.02,-25.08,;22.34,-24.28,;23.69,-25.02,;22.31,-22.75,;23.64,-21.98,;23.63,-20.43,;22.3,-19.67,;22.29,-18.13,;20.98,-20.44,;20.97,-21.98,;19.65,-19.67,;19.64,-18.12,;20.97,-17.35,;18.31,-17.36,;16.98,-18.13,;15.64,-17.36,;14.31,-18.13,;12.98,-17.36,;11.65,-18.13,;10.32,-17.37,;10.31,-15.82,;8.98,-15.05,;11.65,-15.05,;12.98,-15.82,;14.32,-15.05,;16.97,-19.67,;15.64,-20.44,;18.31,-20.45,;18.31,-21.99,)| |