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 | CN(C)C(=O)c1ccc(C)c(c1)-n1c(C)cc(OCc2ccc(F)cc2F)c(Br)c1=O |(19.71,-15.18,;19.71,-13.64,;21.04,-12.87,;18.37,-12.87,;17.04,-13.64,;18.37,-11.33,;19.71,-10.56,;19.7,-9.01,;18.36,-8.25,;18.36,-6.71,;17.05,-9.02,;17.04,-10.56,;15.71,-8.26,;15.7,-6.71,;17.04,-5.93,;14.37,-5.94,;13.04,-6.71,;11.71,-5.94,;10.37,-6.71,;9.04,-5.94,;7.72,-6.71,;6.38,-5.95,;6.38,-4.4,;5.04,-3.63,;7.71,-3.63,;9.05,-4.4,;10.38,-3.63,;13.04,-8.26,;11.7,-9.03,;14.37,-9.03,;14.37,-10.57,)| |