Citation | Martin, MW; Newcomb, J; Nunes, JJ; Boucher, C; Chai, L; Epstein, LF; Faust, T; Flores, S; Gallant, P; Gore, A; Gu, Y; Hsieh, F; Huang, X; Kim, JL; Middleton, S; Morgenstern, K; Oliveira-dos-Santos, A; Patel, VF; Powers, D; Rose, P; Tudor, Y; Turci, SM; Welcher, AA; Zack, D; Zhao, H; Zhu, L; Zhu, X; Ghiron, C; Ermann, M; Johnston, D; Saluste, CG Structure-based design of novel 2-amino-6-phenyl-pyrimido[5',4':5,6]pyrimido[1,2-a]benzimidazol-5(6H)-ones as potent and orally active inhibitors of lymphocyte specific kinase (Lck): synthesis, SAR, and in vivo anti-inflammatory activity. J Med Chem51:1637-48 (2008) [PubMed] Article |
---|
SMILES | CN(C)CCOc1ccc(Nc2ncc3c(n2)n2c4ccccc4nc2n(-c2c(C)cccc2C)c3=O)cc1 |(11.02,-18.02,;12.35,-18.79,;13.68,-18.02,;12.35,-20.33,;13.68,-21.1,;15.02,-20.33,;16.35,-21.1,;17.69,-20.33,;19.02,-21.11,;19.01,-22.65,;20.34,-23.42,;21.67,-22.65,;21.68,-21.11,;23,-20.34,;24.34,-21.1,;24.34,-22.65,;23.01,-23.42,;25.68,-23.42,;26,-24.92,;25.09,-26.15,;25.71,-27.56,;27.24,-27.72,;28.14,-26.49,;27.52,-25.09,;28.16,-23.68,;27.01,-22.65,;27.02,-21.1,;28.35,-20.33,;28.35,-18.8,;27.01,-18.03,;29.68,-18.03,;31.02,-18.8,;31.01,-20.34,;29.68,-21.11,;29.67,-22.65,;25.68,-20.32,;25.68,-18.78,;17.69,-23.42,;16.35,-22.65,)| |