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(Cl)c(c1)-n1c(C)cc(OCc2ccc(F)cc2F)c(Br)c1=O |(35.79,-26.5,;35.75,-24.96,;37.07,-24.16,;38.42,-24.9,;37.04,-22.63,;38.37,-21.85,;38.37,-20.31,;37.03,-19.54,;37.02,-18,;35.71,-20.32,;35.71,-21.86,;34.38,-19.55,;34.37,-18,;35.7,-17.22,;33.04,-17.23,;31.71,-18.01,;30.37,-17.24,;29.04,-18.01,;27.71,-17.24,;26.38,-18.01,;25.05,-17.24,;25.04,-15.7,;23.71,-14.93,;26.38,-14.93,;27.71,-15.7,;29.05,-14.93,;31.71,-19.55,;30.37,-20.32,;33.04,-20.32,;33.04,-21.86,)| |