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Phosphorylation-dependent activity-based conformational changes in P21-activated kinase family members and screening of novel ATP competitive inhibitors

Fig 8

2D structures of compounds.

(a) (5-Phenyl-1,2-oxazol-3-yl)[7-{[4-(2-pyridinyl)-1-piperazinyl]methyl}-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]methanone, (b) 2-{2-[7-(5,8-Dimethoxy-4-methyl-2-quinolinyl)-9-methoxy-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-2-oxoethyl}-4-methyl-1(2H)-phthalazinone, (c) N-({2-[3-(Benzoylamino)phenyl]-5-methyl-1,3-oxazol-4-yl}methyl)-3-(2-oxo-1-imidazolidinyl)benzamide, (d) 2-(1H-Indol-3-yl)-1-{4-[2-(tetrahydro-2-furanyl)-5-(trifluoromethyl)-1H-benzimidazol-1-yl]-1-piperidinyl}ethanone, (e) Methyl 2-[(4-fluoro-2-methoxybenzyl)amino]isonicotinate, (f) N-{[7-(3-Cyclohexen-1-ylcarbonyl)-3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl]methyl}-2-methyl-3-furamide, (g) 1-({2-[2-(Ethylamino)-5-pyrimidinyl]-6-fluoro-4-quinolinyl}carbonyl)-3-piperidinecarbonitrile, (h) 2-[4-(8-Methoxy-2-methyl-5-quinolinyl)-1H-pyrazol-1-yl]-N-(2-methyl-2H-1,2,3-triazol-4-yl)acetamide, (i) 1-(1,5-Dimethyl-1H-1,2,4-triazol-3-yl)-3-[2-(4-methoxyphenyl)ethyl]urea, (j) 2-{4-[(1S,4S)-2-Azabicyclo[2.2.1]hept-2-ylmethyl]phenyl}-6-(3-pyridinyl)-4(1H)-pyrimidinone, (k) N-[2-(5-Fluoro-1H-benzimidazol-2-yl)ethyl]-5-methyl-2-pyrazinecarboxamide and (l) (2E)-N-{[7-Chloro-5-(2,5-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl}-3-(2-pyridinyl)acrylamide.

Fig 8

doi: https://doi.org/10.1371/journal.pone.0225132.g008