6duk A 2.2 BS03 JBJ A 1 F723 A743 K745 L747 E749 I759 M766 C775 R776 L777 L788 M790 D855 F856 L858 L861 L862 E865 F23 A43 K45 L47 E49 I59 M66 C75 R76 L77 L88 M90 D155 F156 L158 L161 L162 E165 D837 A839 R841 N842 D855 D137 A139 R141 N142 D155 2.7.10.1 0004672,0004713,0005524,0006468 -logKd/Ki=9.59, IC50=0.26nM IC50=>1000nM P00533 31092401 1103 QALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLIMQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGLAKLLGAEEKEYHAEGGKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMRKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEED 6duk B 2.2 BS03 JBJ B 1 V726 A743 K745 I759 M766 R776 L777 L788 M790 D855 F856 L858 L861 L862 V28 A45 K47 I61 M68 R78 L79 L90 M92 D157 F158 L160 L163 L164 D837 A839 R841 N842 D855 D139 A141 R143 N144 D157 2.7.10.1 0004672,0004713,0005524,0006468 IC50=>1000nM P00533 31092401 1103 PNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLIMQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGLAKLLVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMRKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDM 6duk C 2.2 BS03 JBJ C 1 A743 K745 M766 R776 L777 L788 M790 D855 F856 L858 L861 A45 K47 M68 R78 L79 L90 M92 D157 F158 L160 L163 D837 A839 R841 N842 D855 D139 A141 R143 N144 D157 2.7.10.1 0004672,0004713,0005524,0006468 IC50=>1000nM P00533 31092401 1103 PNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLIMQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGLAKLVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMRKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDM 6duk D 2.2 BS03 JBJ D 1 F723 V726 A743 K745 I759 M766 R776 L777 L788 M790 D855 F856 L858 L861 E865 F23 V26 A43 K45 I59 M66 R76 L77 L88 M90 D155 F156 L158 L161 E165 D837 A839 R841 N842 D855 D137 A139 R141 N142 D155 2.7.10.1 0004672,0004713,0005524,0006468 IC50=>1000nM P00533 31092401 1103 QALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLIMQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGLAKLLGAEEKEYHAEGGKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMRKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDM 6duk E 2.2 BS03 JBJ E 1 A743 K745 L747 M766 R776 L777 L788 M790 D855 F856 L858 L861 L862 A46 K48 L50 M69 R79 L80 L91 M93 D158 F159 L161 L164 L165 D837 A839 R841 N842 D855 D140 A142 R144 N145 D158 2.7.10.1 0004672,0004713,0005524,0006468 IC50=>1000nM P00533 31092401 1103 APNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLIMQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGLAKLLKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMRKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDM 6duk F 2.2 BS03 JBJ F 1 A743 K745 I759 M766 R776 L777 L788 M790 D855 F856 L858 A43 K45 I59 M66 R76 L77 L88 M90 D155 F156 L158 D837 A839 R841 N842 D855 D137 A139 R141 N142 D155 2.7.10.1 0004672,0004713,0005524,0006468 IC50=>1000nM P00533 31092401 1103 QALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLIMQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGLAKLLGAVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMRKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDMDD 7jxk A 3.1 BS02 JBJ A 1 V726 A743 I744 K745 I759 M766 R776 L777 L788 M790 D855 F856 L858 V27 A44 I45 K46 I60 M67 R77 L78 L89 M91 D156 F157 L159 2.7.10.1 0004672,0004713,0005524,0006468 IC50=>1000nM P00533 1102 NQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLIMQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGLAKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMRKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDM 7jxk C 3.1 BS02 JBJ C 1 A743 I744 K745 E758 I759 E762 M766 C775 R776 L777 L788 M790 D855 F856 L858 A43 I44 K45 E58 I59 E62 M66 C75 R76 L77 L88 M90 D155 F156 L158 2.7.10.1 0004672,0004713,0005524,0006468 IC50=>1000nM P00533 1102 QALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLIMQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGLAKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMRKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDM 7jxk D 3.1 BS03 JBJ D 1 A743 I744 K745 E758 I759 M766 R776 L777 L788 M790 D855 F856 L858 K860 A44 I45 K46 E59 I60 M67 R77 L78 L89 M91 D156 F157 L159 K161 2.7.10.1 0004672,0004713,0005524,0006468 IC50=>1000nM P00533 1103 NQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLIMQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGLAKLVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMRKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDM 7jxk E 3.1 BS02 JBJ E 1 F723 A743 I744 K745 L747 T751 I759 M766 R776 L777 L788 M790 D855 F856 L858 F24 A44 I45 K46 L48 T52 I60 M67 R77 L78 L89 M91 D156 F157 L159 2.7.10.1 0004672,0004713,0005524,0006468 IC50=>1000nM P00533 1102 NQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLIMQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGLAVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMRKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDPSPTDSNFYRALMDEEDM 7jxk F 3.1 BS02 JBJ F 1 V726 A743 I744 K745 T751 A755 E758 I759 A763 M766 R776 L777 L788 M790 D855 F856 L858 V27 A44 I45 K46 T52 A56 E59 I60 A64 M67 R77 L78 L89 M91 D156 F157 L159 2.7.10.1 0004672,0004713,0005524,0006468 IC50=>1000nM P00533 1102 NQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLIMQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGLAVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMRKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDM 7jxp A 2.16 BS03 JBJ A 1 V726 A743 I744 K745 L747 I759 M766 R776 L777 L788 M790 D855 F856 L858 L861 L862 E865 V27 A44 I45 K46 L48 I60 M67 R77 L78 L89 M91 D156 F157 L159 L162 L163 E166 2.7.10.1 0004672,0004713,0005524,0006468 IC50=>1000nM P00533 1103 NQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLIMQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGLAKLLGAEEKEYHAEGGKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMRKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDM 7jxp B 2.16 BS03 JBJ B 1 A743 I744 K745 E749 I759 M766 R776 L777 L788 M790 D855 F856 L858 L861 L862 E865 A44 I45 K46 E50 I60 M67 R77 L78 L89 M91 D156 F157 L159 L162 L163 E166 2.7.10.1 0004672,0004713,0005524,0006468 IC50=>1000nM P00533 1103 NQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLIMQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGLAKLLGAEEKEYHAEGGKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMRKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDM 7jxp C 2.16 BS01 JBJ C 1 F723 V726 A743 I744 K745 I759 E762 M766 R776 L777 L788 M790 D855 F856 L858 F24 V27 A44 I45 K46 I60 E63 M67 R77 L78 L89 M91 D156 F157 L159 2.7.10.1 0004672,0004713,0005524,0006468 IC50=>1000nM P00533 1101 NQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLIMQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGLAVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMRKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDM 7jxp D 2.16 BS03 JBJ D 1 V726 A743 I744 K745 L747 I759 M766 R776 L777 L788 M790 D855 F856 L858 V27 A44 I45 K46 L48 I60 M67 R77 L78 L89 M91 D156 F157 L159 2.7.10.1 0004672,0004713,0005524,0006468 IC50=>1000nM P00533 1103 NQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLIMQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGLAKLVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMRKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDM 7jxp E 2.16 BS01 JBJ E 1 V726 A743 I744 K745 I759 R776 L777 L788 M790 D855 F856 L858 V27 A44 I45 K46 I60 R77 L78 L89 M91 D156 F157 L159 2.7.10.1 0004672,0004713,0005524,0006468 IC50=>1000nM P00533 1101 NQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLIMQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGLAVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMRKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDPSPTDSNFYRALMDEEDM 7jxp F 2.16 BS03 JBJ F 1 A743 I744 K745 E758 I759 M766 R776 L777 L788 M790 D855 F856 L858 L861 A44 I45 K46 E59 I60 M67 R77 L78 L89 M91 D156 F157 L159 L162 2.7.10.1 0004672,0004713,0005524,0006468 IC50=>1000nM P00533 1103 NQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLIMQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGLAKLVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMRKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDM