3qj5 A 1.9 BS01 ZN A 1 C96 C99 C102 C110 C95 C98 C101 C109 C44 H45 T46 Y49 H66 E67 C96 C99 C102 C110 R114 C173 T177 R368 C43 H44 T45 Y48 H65 E66 C95 C98 C101 C109 R113 C172 T176 R367 1.1.1.-,1.1.1.1,1.1.1.284 0001523,0003016,0004022,0005504,0005737,0005739,0005829,0006629,0008270,0009055,0010430,0016491,0018467,0032496,0042802,0044281,0045777,0046294,0046872,0051409,0051775,0051903,0070062,0080007,0106321,0106322 P11766 24900320 375 NEVIKCKAAVAWEAGKPLSIEEIEVAPPKAHEVRIKIIATAVCHTDAYTLSGADPEGCFPVILGHEGAGIVESVGEGVTKLKAGDTVIPLYIPQCGECKFCLNPKTNLCQKIRVTQGKGLMPDGTSRFTCKGKTILHYMGTSTFSEYTVVADISVAKIDPLAPLDKVCLLGCGISTGYGAAVNTAKLEPGSVCAVFGLGGVGLAVIMGCKVAGASRIIGVDINKDKFARAKEFGATECINPQDFSKPIQEVLIEMTDGGVDYSFECIGNVKVMRAALEACHKGWGVSVVVGVAASGEEIATRPFQLVTGRTWKGTAFGGWKSVESVPKLVSEYMSKKIKVDEFVTHNLSFDEINKAFELMHSGKSIRTVVKI 3qj5 A 1.9 BS02 ZN A 2 C44 H66 C173 C43 H65 C172 C44 H45 T46 Y49 H66 E67 C96 C99 C102 C110 R114 C173 T177 R368 C43 H44 T45 Y48 H65 E66 C95 C98 C101 C109 R113 C172 T176 R367 1.1.1.-,1.1.1.1,1.1.1.284 0001523,0003016,0004022,0005504,0005737,0005739,0005829,0006629,0008270,0009055,0010430,0016491,0018467,0032496,0042802,0044281,0045777,0046294,0046872,0051409,0051775,0051903,0070062,0080007,0106321,0106322 P11766 24900320 376 NEVIKCKAAVAWEAGKPLSIEEIEVAPPKAHEVRIKIIATAVCHTDAYTLSGADPEGCFPVILGHEGAGIVESVGEGVTKLKAGDTVIPLYIPQCGECKFCLNPKTNLCQKIRVTQGKGLMPDGTSRFTCKGKTILHYMGTSTFSEYTVVADISVAKIDPLAPLDKVCLLGCGISTGYGAAVNTAKLEPGSVCAVFGLGGVGLAVIMGCKVAGASRIIGVDINKDKFARAKEFGATECINPQDFSKPIQEVLIEMTDGGVDYSFECIGNVKVMRAALEACHKGWGVSVVVGVAASGEEIATRPFQLVTGRTWKGTAFGGWKSVESVPKLVSEYMSKKIKVDEFVTHNLSFDEINKAFELMHSGKSIRTVVKI 3qj5 A 1.9 BS03 NAD A 1 C173 T177 G200 V202 D222 I223 C267 I268 V291 G292 V293 A317 F318 C172 T176 G199 V201 D221 I222 C266 I267 V290 G291 V292 A316 F317 C44 H45 T46 Y49 H66 E67 C96 C99 C102 C110 R114 C173 T177 R368 C43 H44 T45 Y48 H65 E66 C95 C98 C101 C109 R113 C172 T176 R367 1.1.1.-,1.1.1.1,1.1.1.284 0001523,0003016,0004022,0005504,0005737,0005739,0005829,0006629,0008270,0009055,0010430,0016491,0018467,0032496,0042802,0044281,0045777,0046294,0046872,0051409,0051775,0051903,0070062,0080007,0106321,0106322 P11766 24900320 500 NEVIKCKAAVAWEAGKPLSIEEIEVAPPKAHEVRIKIIATAVCHTDAYTLSGADPEGCFPVILGHEGAGIVESVGEGVTKLKAGDTVIPLYIPQCGECKFCLNPKTNLCQKIRVTQGKGLMPDGTSRFTCKGKTILHYMGTSTFSEYTVVADISVAKIDPLAPLDKVCLLGCGISTGYGAAVNTAKLEPGSVCAVFGLGGVGLAVIMGCKVAGASRIIGVDINKDKFARAKEFGATECINPQDFSKPIQEVLIEMTDGGVDYSFECIGNVKVMRAALEACHKGWGVSVVVGVAASGEEIATRPFQLVTGRTWKGTAFGGWKSVESVPKLVSEYMSKKIKVDEFVTHNLSFDEINKAFELMHSGKSIRTVVKI 3qj5 A 1.9 BS04 022 A 1 C44 T46 H66 Y92 I93 Q111 Q117 C173 C43 T45 H65 Y91 I92 Q110 Q116 C172 C44 H45 T46 Y49 H66 E67 C96 C99 C102 C110 R114 C173 T177 R368 C43 H44 T45 Y48 H65 E66 C95 C98 C101 C109 R113 C172 T176 R367 1.1.1.-,1.1.1.1,1.1.1.284 0001523,0003016,0004022,0005504,0005737,0005739,0005829,0006629,0008270,0009055,0010430,0016491,0018467,0032496,0042802,0044281,0045777,0046294,0046872,0051409,0051775,0051903,0070062,0080007,0106321,0106322 IC50=20nM P11766 24900320 374 NEVIKCKAAVAWEAGKPLSIEEIEVAPPKAHEVRIKIIATAVCHTDAYTLSGADPEGCFPVILGHEGAGIVESVGEGVTKLKAGDTVIPLYIPQCGECKFCLNPKTNLCQKIRVTQGKGLMPDGTSRFTCKGKTILHYMGTSTFSEYTVVADISVAKIDPLAPLDKVCLLGCGISTGYGAAVNTAKLEPGSVCAVFGLGGVGLAVIMGCKVAGASRIIGVDINKDKFARAKEFGATECINPQDFSKPIQEVLIEMTDGGVDYSFECIGNVKVMRAALEACHKGWGVSVVVGVAASGEEIATRPFQLVTGRTWKGTAFGGWKSVESVPKLVSEYMSKKIKVDEFVTHNLSFDEINKAFELMHSGKSIRTVVKI 3qj5 A 1.9 BS05 N2P A 1 H45 Y49 V293 A295 H44 Y48 V292 A294 C44 H45 T46 Y49 H66 E67 C96 C99 C102 C110 R114 C173 T177 R368 C43 H44 T45 Y48 H65 E66 C95 C98 C101 C109 R113 C172 T176 R367 1.1.1.-,1.1.1.1,1.1.1.284 0001523,0003016,0004022,0005504,0005737,0005739,0005829,0006629,0008270,0009055,0010430,0016491,0018467,0032496,0042802,0044281,0045777,0046294,0046872,0051409,0051775,0051903,0070062,0080007,0106321,0106322 P11766 24900320 379 NEVIKCKAAVAWEAGKPLSIEEIEVAPPKAHEVRIKIIATAVCHTDAYTLSGADPEGCFPVILGHEGAGIVESVGEGVTKLKAGDTVIPLYIPQCGECKFCLNPKTNLCQKIRVTQGKGLMPDGTSRFTCKGKTILHYMGTSTFSEYTVVADISVAKIDPLAPLDKVCLLGCGISTGYGAAVNTAKLEPGSVCAVFGLGGVGLAVIMGCKVAGASRIIGVDINKDKFARAKEFGATECINPQDFSKPIQEVLIEMTDGGVDYSFECIGNVKVMRAALEACHKGWGVSVVVGVAASGEEIATRPFQLVTGRTWKGTAFGGWKSVESVPKLVSEYMSKKIKVDEFVTHNLSFDEINKAFELMHSGKSIRTVVKI 3qj5 B 1.9 BS01 ZN B 1 C96 C99 C102 C110 C96 C99 C102 C110 C44 H45 T46 Y49 H66 E67 C96 C99 C102 C110 R114 C173 T177 R368 C44 H45 T46 Y49 H66 E67 C96 C99 C102 C110 R114 C173 T177 R368 1.1.1.-,1.1.1.1,1.1.1.284 0001523,0003016,0004022,0005504,0005737,0005739,0005829,0006629,0008270,0009055,0010430,0016491,0018467,0032496,0042802,0044281,0045777,0046294,0046872,0051409,0051775,0051903,0070062,0080007,0106321,0106322 P11766 24900320 375 ANEVIKCKAAVAWEAGKPLSIEEIEVAPPKAHEVRIKIIATAVCHTDAYTLSGADPEGCFPVILGHEGAGIVESVGEGVTKLKAGDTVIPLYIPQCGECKFCLNPKTNLCQKIRVTQGKGLMPDGTSRFTCKGKTILHYMGTSTFSEYTVVADISVAKIDPLAPLDKVCLLGCGISTGYGAAVNTAKLEPGSVCAVFGLGGVGLAVIMGCKVAGASRIIGVDINKDKFARAKEFGATECINPQDFSKPIQEVLIEMTDGGVDYSFECIGNVKVMRAALEACHKGWGVSVVVGVAASGEEIATRPFQLVTGRTWKGTAFGGWKSVESVPKLVSEYMSKKIKVDEFVTHNLSFDEINKAFELMHSGKSIRTVVKI 3qj5 B 1.9 BS02 ZN B 2 C44 H66 C173 C44 H66 C173 C44 H45 T46 Y49 H66 E67 C96 C99 C102 C110 R114 C173 T177 R368 C44 H45 T46 Y49 H66 E67 C96 C99 C102 C110 R114 C173 T177 R368 1.1.1.-,1.1.1.1,1.1.1.284 0001523,0003016,0004022,0005504,0005737,0005739,0005829,0006629,0008270,0009055,0010430,0016491,0018467,0032496,0042802,0044281,0045777,0046294,0046872,0051409,0051775,0051903,0070062,0080007,0106321,0106322 P11766 24900320 376 ANEVIKCKAAVAWEAGKPLSIEEIEVAPPKAHEVRIKIIATAVCHTDAYTLSGADPEGCFPVILGHEGAGIVESVGEGVTKLKAGDTVIPLYIPQCGECKFCLNPKTNLCQKIRVTQGKGLMPDGTSRFTCKGKTILHYMGTSTFSEYTVVADISVAKIDPLAPLDKVCLLGCGISTGYGAAVNTAKLEPGSVCAVFGLGGVGLAVIMGCKVAGASRIIGVDINKDKFARAKEFGATECINPQDFSKPIQEVLIEMTDGGVDYSFECIGNVKVMRAALEACHKGWGVSVVVGVAASGEEIATRPFQLVTGRTWKGTAFGGWKSVESVPKLVSEYMSKKIKVDEFVTHNLSFDEINKAFELMHSGKSIRTVVKI 3qj5 B 1.9 BS03 NAD B 1 C173 T177 G200 V202 D222 I223 C267 I268 V291 G292 V293 A317 F318 C173 T177 G200 V202 D222 I223 C267 I268 V291 G292 V293 A317 F318 C44 H45 T46 Y49 H66 E67 C96 C99 C102 C110 R114 C173 T177 R368 C44 H45 T46 Y49 H66 E67 C96 C99 C102 C110 R114 C173 T177 R368 1.1.1.-,1.1.1.1,1.1.1.284 0001523,0003016,0004022,0005504,0005737,0005739,0005829,0006629,0008270,0009055,0010430,0016491,0018467,0032496,0042802,0044281,0045777,0046294,0046872,0051409,0051775,0051903,0070062,0080007,0106321,0106322 P11766 24900320 374 ANEVIKCKAAVAWEAGKPLSIEEIEVAPPKAHEVRIKIIATAVCHTDAYTLSGADPEGCFPVILGHEGAGIVESVGEGVTKLKAGDTVIPLYIPQCGECKFCLNPKTNLCQKIRVTQGKGLMPDGTSRFTCKGKTILHYMGTSTFSEYTVVADISVAKIDPLAPLDKVCLLGCGISTGYGAAVNTAKLEPGSVCAVFGLGGVGLAVIMGCKVAGASRIIGVDINKDKFARAKEFGATECINPQDFSKPIQEVLIEMTDGGVDYSFECIGNVKVMRAALEACHKGWGVSVVVGVAASGEEIATRPFQLVTGRTWKGTAFGGWKSVESVPKLVSEYMSKKIKVDEFVTHNLSFDEINKAFELMHSGKSIRTVVKI 3qj5 B 1.9 BS04 022 B 1 C44 T46 Y92 R114 Q117 M140 C173 C44 T46 Y92 R114 Q117 M140 C173 C44 H45 T46 Y49 H66 E67 C96 C99 C102 C110 R114 C173 T177 R368 C44 H45 T46 Y49 H66 E67 C96 C99 C102 C110 R114 C173 T177 R368 1.1.1.-,1.1.1.1,1.1.1.284 0001523,0003016,0004022,0005504,0005737,0005739,0005829,0006629,0008270,0009055,0010430,0016491,0018467,0032496,0042802,0044281,0045777,0046294,0046872,0051409,0051775,0051903,0070062,0080007,0106321,0106322 IC50=20nM P11766 24900320 377 ANEVIKCKAAVAWEAGKPLSIEEIEVAPPKAHEVRIKIIATAVCHTDAYTLSGADPEGCFPVILGHEGAGIVESVGEGVTKLKAGDTVIPLYIPQCGECKFCLNPKTNLCQKIRVTQGKGLMPDGTSRFTCKGKTILHYMGTSTFSEYTVVADISVAKIDPLAPLDKVCLLGCGISTGYGAAVNTAKLEPGSVCAVFGLGGVGLAVIMGCKVAGASRIIGVDINKDKFARAKEFGATECINPQDFSKPIQEVLIEMTDGGVDYSFECIGNVKVMRAALEACHKGWGVSVVVGVAASGEEIATRPFQLVTGRTWKGTAFGGWKSVESVPKLVSEYMSKKIKVDEFVTHNLSFDEINKAFELMHSGKSIRTVVKI 3qj5 B 1.9 BS05 N2P B 1 H45 Y49 V293 A295 H45 Y49 V293 A295 C44 H45 T46 Y49 H66 E67 C96 C99 C102 C110 R114 C173 T177 R368 C44 H45 T46 Y49 H66 E67 C96 C99 C102 C110 R114 C173 T177 R368 1.1.1.-,1.1.1.1,1.1.1.284 0001523,0003016,0004022,0005504,0005737,0005739,0005829,0006629,0008270,0009055,0010430,0016491,0018467,0032496,0042802,0044281,0045777,0046294,0046872,0051409,0051775,0051903,0070062,0080007,0106321,0106322 P11766 24900320 379 ANEVIKCKAAVAWEAGKPLSIEEIEVAPPKAHEVRIKIIATAVCHTDAYTLSGADPEGCFPVILGHEGAGIVESVGEGVTKLKAGDTVIPLYIPQCGECKFCLNPKTNLCQKIRVTQGKGLMPDGTSRFTCKGKTILHYMGTSTFSEYTVVADISVAKIDPLAPLDKVCLLGCGISTGYGAAVNTAKLEPGSVCAVFGLGGVGLAVIMGCKVAGASRIIGVDINKDKFARAKEFGATECINPQDFSKPIQEVLIEMTDGGVDYSFECIGNVKVMRAALEACHKGWGVSVVVGVAASGEEIATRPFQLVTGRTWKGTAFGGWKSVESVPKLVSEYMSKKIKVDEFVTHNLSFDEINKAFELMHSGKSIRTVVKI