data_1BV # _chem_comp.id 1BV _chem_comp.name ;(2R,6S,7E,10E,13aR,14aR,16aS)-2-{[7-methoxy-8-methyl-2-(propan-2-yloxy)quinolin-4-yl]oxy}-N-[(1-methylcyclopropyl)sulfonyl]-6-{[(1-methyl-1H-pyrazol-3-yl)carbonyl]amino}-5,16-dioxo-1,2,3,6,9,12,13,13a,14,15,16,16a-dodecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxamide ; _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "C41 H51 N7 O9 S" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms ? _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2012-11-28 _chem_comp.pdbx_modified_date 2012-12-28 _chem_comp.pdbx_ambiguous_flag N _chem_comp.pdbx_release_status REL _chem_comp.pdbx_replaced_by ? _chem_comp.pdbx_replaces ? _chem_comp.formula_weight 817.950 _chem_comp.one_letter_code ? _chem_comp.three_letter_code 1BV _chem_comp.pdbx_model_coordinates_details ? _chem_comp.pdbx_model_coordinates_missing_flag N _chem_comp.pdbx_ideal_coordinates_details Corina _chem_comp.pdbx_ideal_coordinates_missing_flag N _chem_comp.pdbx_model_coordinates_db_code 4I31 _chem_comp.pdbx_subcomponent_list ? _chem_comp.pdbx_processing_site RCSB # loop_ _chem_comp_atom.comp_id _chem_comp_atom.atom_id _chem_comp_atom.alt_atom_id _chem_comp_atom.type_symbol _chem_comp_atom.charge _chem_comp_atom.pdbx_align _chem_comp_atom.pdbx_aromatic_flag _chem_comp_atom.pdbx_leaving_atom_flag _chem_comp_atom.pdbx_stereo_config _chem_comp_atom.model_Cartn_x _chem_comp_atom.model_Cartn_y _chem_comp_atom.model_Cartn_z _chem_comp_atom.pdbx_model_Cartn_x_ideal _chem_comp_atom.pdbx_model_Cartn_y_ideal _chem_comp_atom.pdbx_model_Cartn_z_ideal _chem_comp_atom.pdbx_component_atom_id _chem_comp_atom.pdbx_component_comp_id _chem_comp_atom.pdbx_ordinal 1BV C1 C1 C 0 1 N N N 67.835 6.363 8.341 -7.952 -2.728 2.792 C1 1BV 1 1BV C2 C2 C 0 1 N N N 66.627 6.493 9.210 -7.555 -1.291 2.449 C2 1BV 2 1BV C3 C3 C 0 1 N N N 66.486 6.527 7.726 -7.282 -2.419 1.452 C3 1BV 3 1BV S4 S4 S 0 1 N N N 66.001 8.179 7.132 -5.560 -2.947 1.235 S4 1BV 4 1BV O5 O5 O 0 1 N N N 66.436 8.335 5.755 -4.698 -2.192 2.075 O5 1BV 5 1BV O6 O6 O 0 1 N N N 66.606 9.283 7.924 -5.476 -4.364 1.183 O6 1BV 6 1BV N7 N7 N 0 1 N N N 64.360 8.253 7.097 -5.168 -2.458 -0.298 N7 1BV 7 1BV C8 C8 C 0 1 N N N 63.778 9.440 6.484 -5.129 -1.144 -0.597 C8 1BV 8 1BV O9 O9 O 0 1 N N N 64.480 10.347 6.056 -5.469 -0.324 0.229 O9 1BV 9 1BV C10 C10 C 0 1 N N R 62.287 9.540 6.414 -4.664 -0.697 -1.953 C10 1BV 10 1BV C11 C11 C 0 1 N N N 61.906 10.958 6.701 -5.636 -0.803 -3.127 C11 1BV 11 1BV C12 C12 C 0 1 N N R 61.614 10.370 5.356 -5.289 0.568 -2.545 C12 1BV 12 1BV C13 C13 C 0 1 N N N 62.498 10.859 4.298 -6.353 1.293 -1.722 C13 1BV 13 1BV C14 C14 C 0 1 N N N 62.292 10.396 2.995 -6.327 2.787 -2.055 C14 1BV 14 1BV N15 N15 N 0 1 N N N 61.379 8.586 7.050 -3.226 -0.891 -2.228 N15 1BV 15 1BV C16 C16 C 0 1 N N N 61.226 7.245 6.483 -2.408 -0.865 -1.140 C16 1BV 16 1BV O17 O17 O 0 1 N N N 61.915 6.971 5.513 -2.863 -1.037 -0.029 O17 1BV 17 1BV C18 C18 C 0 1 N N S 60.232 6.323 7.060 -0.937 -0.623 -1.328 C18 1BV 18 1BV C19 C19 C 0 1 N N N 60.652 4.973 7.590 -0.118 -1.855 -0.923 C19 1BV 19 1BV C20 C20 C 0 1 N N R 59.428 4.167 7.354 1.097 -1.292 -0.161 C20 1BV 20 1BV C21 C21 C 0 1 N N N 59.106 4.492 5.986 0.822 0.207 0.052 C21 1BV 21 1BV N22 N22 N 0 1 N N N 59.277 5.962 5.998 -0.526 0.484 -0.451 N22 1BV 22 1BV C23 C23 C 0 1 N N N 58.633 6.944 5.125 -1.292 1.550 -0.179 C23 1BV 23 1BV O24 O24 O 0 1 N N N 58.926 8.134 5.302 -2.445 1.544 -0.553 O24 1BV 24 1BV C25 C25 C 0 1 N N S 57.654 6.548 4.047 -0.787 2.753 0.566 C25 1BV 25 1BV C26 C26 C 0 1 N N N 58.133 7.022 2.674 -1.651 3.934 0.181 C26 1BV 26 1BV C27 C27 C 0 1 N N N 59.541 6.661 2.300 -2.939 3.885 0.416 C27 1BV 27 1BV C28 C28 C 0 1 N N N 60.220 7.443 1.155 -3.859 4.970 -0.073 C28 1BV 28 1BV C29 C29 C 0 1 N N N 60.831 8.808 1.503 -5.126 4.349 -0.609 C29 1BV 29 1BV C30 C30 C 0 1 N N N 61.713 8.978 2.711 -5.062 3.409 -1.520 C30 1BV 30 1BV N31 N31 N 0 1 N N N 56.433 7.146 4.516 0.606 3.017 0.198 N31 1BV 31 1BV C32 C32 C 0 1 N N N 55.500 6.352 5.240 1.415 3.677 1.049 C32 1BV 32 1BV O33 O33 O 0 1 N N N 55.745 5.188 5.423 0.989 4.055 2.124 O33 1BV 33 1BV C34 C34 C 0 1 Y N N 54.226 6.942 5.787 2.820 3.943 0.678 C34 1BV 34 1BV N35 N35 N 0 1 Y N N 53.260 6.262 6.484 3.413 3.595 -0.447 N35 1BV 35 1BV N36 N36 N 0 1 Y N N 52.273 7.157 6.825 4.637 3.985 -0.438 N36 1BV 36 1BV C37 C37 C 0 1 Y N N 52.609 8.392 6.365 4.916 4.623 0.718 C37 1BV 37 1BV C38 C38 C 0 1 Y N N 53.828 8.277 5.713 3.783 4.625 1.459 C38 1BV 38 1BV C39 C39 C 0 1 N N N 51.066 6.827 7.566 5.593 3.768 -1.527 C39 1BV 39 1BV C40 C40 C 0 1 N N N 65.791 5.439 7.000 -8.153 -2.477 0.196 C40 1BV 40 1BV O41 O41 O 0 1 N N N 58.308 4.694 8.007 2.285 -1.468 -0.935 O41 1BV 41 1BV C42 C42 C 0 1 Y N N 58.059 4.276 9.347 3.460 -1.510 -0.259 C42 1BV 42 1BV C43 C43 C 0 1 Y N N 58.898 3.343 10.027 3.503 -1.277 1.091 C43 1BV 43 1BV C44 C44 C 0 1 Y N N 58.584 2.986 11.349 4.725 -1.326 1.766 C44 1BV 44 1BV N45 N45 N 0 1 Y N N 57.518 3.512 11.966 5.851 -1.592 1.138 N45 1BV 45 1BV C46 C46 C 0 1 Y N N 56.662 4.432 11.337 5.876 -1.828 -0.181 C46 1BV 46 1BV C47 C47 C 0 1 Y N N 56.902 4.819 10.052 4.673 -1.801 -0.926 C47 1BV 47 1BV C48 C48 C 0 1 Y N N 56.029 5.751 9.433 4.700 -2.054 -2.305 C48 1BV 48 1BV C49 C49 C 0 1 Y N N 54.928 6.247 10.138 5.883 -2.331 -2.920 C49 1BV 49 1BV C50 C50 C 0 1 Y N N 54.689 5.842 11.445 7.075 -2.367 -2.193 C50 1BV 50 1BV C51 C51 C 0 1 Y N N 55.540 4.940 12.057 7.083 -2.110 -0.840 C51 1BV 51 1BV O52 O52 O 0 1 N N N 59.385 2.062 12.071 4.752 -1.094 3.101 O52 1BV 52 1BV C53 C53 C 0 1 N N N 58.920 1.578 13.303 6.026 -1.155 3.745 C53 1BV 53 1BV C54 C54 C 0 1 N N N 60.073 1.086 14.237 6.674 0.230 3.726 C54 1BV 54 1BV C55 C55 C 0 1 N N N 57.797 0.574 13.158 5.844 -1.613 5.193 C55 1BV 55 1BV O56 O56 O 0 1 N N N 53.595 6.341 12.177 8.242 -2.646 -2.830 O56 1BV 56 1BV C57 C57 C 0 1 N N N 52.436 6.756 11.500 8.171 -2.890 -4.236 C57 1BV 57 1BV C58 C58 C 0 1 N N N 55.282 4.514 13.438 8.377 -2.150 -0.068 C58 1BV 58 1BV H1 H1 H 0 1 N N N 68.359 5.399 8.268 -7.359 -3.249 3.543 H1 1BV 59 1BV H2 H2 H 0 1 N N N 68.567 7.183 8.289 -9.014 -2.974 2.779 H2 1BV 60 1BV H3 H3 H 0 1 N N N 66.469 7.409 9.799 -8.355 -0.591 2.211 H3 1BV 61 1BV H4 H4 H 0 1 N N N 66.262 5.624 9.778 -6.700 -0.867 2.976 H4 1BV 62 1BV H5 H5 H 0 1 N N N 63.791 7.523 7.476 -4.966 -3.117 -0.980 H5 1BV 63 1BV H6 H6 H 0 1 N N N 62.687 11.726 6.807 -5.221 -1.055 -4.103 H6 1BV 64 1BV H7 H7 H 0 1 N N N 61.082 11.175 7.396 -6.630 -1.199 -2.922 H7 1BV 65 1BV H8 H8 H 0 1 N N N 60.568 10.139 5.108 -4.636 1.215 -3.139 H8 1BV 66 1BV H9 H9 H 0 1 N N N 63.526 10.588 4.581 -7.336 0.886 -1.959 H9 1BV 67 1BV H10 H10 H 0 1 N N N 62.401 11.954 4.273 -6.148 1.154 -0.660 H10 1BV 68 1BV H11 H11 H 0 1 N N N 63.271 10.436 2.494 -6.365 2.918 -3.136 H11 1BV 69 1BV H12 H12 H 0 1 N N N 61.606 11.111 2.518 -7.189 3.275 -1.601 H12 1BV 70 1BV H13 H13 H 0 1 N N N 60.866 8.848 7.867 -2.886 -1.029 -3.126 H13 1BV 71 1BV H14 H14 H 0 1 N N N 59.687 6.849 7.858 -0.729 -0.361 -2.365 H14 1BV 72 1BV H15 H15 H 0 1 N N N 61.511 4.572 7.032 -0.706 -2.503 -0.273 H15 1BV 73 1BV H16 H16 H 0 1 N N N 60.901 5.021 8.660 0.208 -2.401 -1.808 H16 1BV 74 1BV H17 H17 H 0 1 N N N 59.586 3.092 7.524 1.200 -1.794 0.801 H17 1BV 75 1BV H18 H18 H 0 1 N N N 58.073 4.207 5.735 0.877 0.446 1.114 H18 1BV 76 1BV H19 H19 H 0 1 N N N 59.800 4.010 5.282 1.552 0.799 -0.500 H19 1BV 77 1BV H20 H20 H 0 1 N N N 57.558 5.452 4.032 -0.858 2.578 1.640 H20 1BV 78 1BV H21 H21 H 0 1 N N N 57.494 7.585 2.010 -1.206 4.801 -0.275 H21 1BV 79 1BV H22 H22 H 0 1 N N N 60.066 5.873 2.819 -3.349 3.028 0.935 H22 1BV 80 1BV H23 H23 H 0 1 N N N 59.464 7.609 0.374 -4.103 5.639 0.753 H23 1BV 81 1BV H24 H24 H 0 1 N N N 61.027 6.811 0.756 -3.367 5.535 -0.865 H24 1BV 82 1BV H25 H25 H 0 1 N N N 60.625 9.659 0.871 -6.085 4.679 -0.240 H25 1BV 83 1BV H26 H26 H 0 1 N N N 61.937 8.144 3.360 -4.101 3.083 -1.890 H26 1BV 84 1BV H27 H27 H 0 1 N N N 56.241 8.111 4.335 0.946 2.716 -0.659 H27 1BV 85 1BV H28 H28 H 0 1 N N N 52.032 9.297 6.485 5.865 5.056 0.998 H28 1BV 86 1BV H29 H29 H 0 1 N N N 54.372 9.078 5.234 3.643 5.055 2.440 H29 1BV 87 1BV H30 H30 H 0 1 N N N 51.066 5.754 7.810 5.549 4.607 -2.222 H30 1BV 88 1BV H31 H31 H 0 1 N N N 51.035 7.414 8.496 6.599 3.688 -1.117 H31 1BV 89 1BV H32 H32 H 0 1 N N N 50.184 7.063 6.953 5.341 2.847 -2.053 H32 1BV 90 1BV H33 H33 H 0 1 N N N 66.118 4.466 7.396 -8.967 -1.757 0.284 H33 1BV 91 1BV H34 H34 H 0 1 N N N 64.704 5.543 7.136 -7.548 -2.236 -0.678 H34 1BV 92 1BV H35 H35 H 0 1 N N N 66.034 5.500 5.929 -8.566 -3.480 0.086 H35 1BV 93 1BV H36 H36 H 0 1 N N N 59.760 2.919 9.534 2.595 -1.056 1.632 H36 1BV 94 1BV H37 H37 H 0 1 N N N 56.215 6.076 8.420 3.785 -2.030 -2.877 H37 1BV 95 1BV H38 H38 H 0 1 N N N 54.259 6.950 9.663 5.899 -2.526 -3.982 H38 1BV 96 1BV H39 H39 H 0 1 N N N 58.477 2.436 13.830 6.666 -1.863 3.217 H39 1BV 97 1BV H40 H40 H 0 1 N N N 59.648 0.720 15.183 7.646 0.184 4.216 H40 1BV 98 1BV H41 H41 H 0 1 N N N 60.623 0.272 13.743 6.804 0.557 2.694 H41 1BV 99 1BV H42 H42 H 0 1 N N N 60.760 1.920 14.442 6.035 0.938 4.253 H42 1BV 100 1BV H43 H43 H 0 1 N N N 57.478 0.234 14.154 5.382 -2.600 5.207 H43 1BV 101 1BV H44 H44 H 0 1 N N N 56.948 1.046 12.642 6.816 -1.660 5.684 H44 1BV 102 1BV H45 H45 H 0 1 N N N 58.149 -0.288 12.572 5.205 -0.905 5.721 H45 1BV 103 1BV H46 H46 H 0 1 N N N 51.693 7.113 12.229 7.523 -3.746 -4.424 H46 1BV 104 1BV H47 H47 H 0 1 N N N 52.689 7.571 10.805 7.766 -2.011 -4.738 H47 1BV 105 1BV H48 H48 H 0 1 N N N 52.018 5.909 10.935 9.170 -3.100 -4.619 H48 1BV 106 1BV H49 H49 H 0 1 N N N 55.798 5.192 14.134 8.551 -3.163 0.296 H49 1BV 107 1BV H50 H50 H 0 1 N N N 54.200 4.541 13.634 9.198 -1.851 -0.719 H50 1BV 108 1BV H51 H51 H 0 1 N N N 55.655 3.489 13.581 8.316 -1.466 0.779 H51 1BV 109 # loop_ _chem_comp_bond.comp_id _chem_comp_bond.atom_id_1 _chem_comp_bond.atom_id_2 _chem_comp_bond.value_order _chem_comp_bond.pdbx_aromatic_flag _chem_comp_bond.pdbx_stereo_config _chem_comp_bond.pdbx_ordinal 1BV C28 C29 SING N N 1 1BV C28 C27 SING N N 2 1BV C29 C30 DOUB N E 3 1BV C27 C26 DOUB N E 4 1BV C26 C25 SING N N 5 1BV C30 C14 SING N N 6 1BV C14 C13 SING N N 7 1BV C25 N31 SING N N 8 1BV C25 C23 SING N N 9 1BV C13 C12 SING N N 10 1BV N31 C32 SING N N 11 1BV C23 O24 DOUB N N 12 1BV C23 N22 SING N N 13 1BV C32 O33 DOUB N N 14 1BV C32 C34 SING N N 15 1BV C12 C10 SING N N 16 1BV C12 C11 SING N N 17 1BV O17 C16 DOUB N N 18 1BV C38 C34 SING Y N 19 1BV C38 C37 DOUB Y N 20 1BV O5 S4 DOUB N N 21 1BV C34 N35 DOUB Y N 22 1BV C21 N22 SING N N 23 1BV C21 C20 SING N N 24 1BV N22 C18 SING N N 25 1BV O9 C8 DOUB N N 26 1BV C37 N36 SING Y N 27 1BV C10 C8 SING N N 28 1BV C10 C11 SING N N 29 1BV C10 N15 SING N N 30 1BV C16 N15 SING N N 31 1BV C16 C18 SING N N 32 1BV C8 N7 SING N N 33 1BV N35 N36 SING Y N 34 1BV N36 C39 SING N N 35 1BV C40 C3 SING N N 36 1BV C18 C19 SING N N 37 1BV N7 S4 SING N N 38 1BV S4 C3 SING N N 39 1BV S4 O6 DOUB N N 40 1BV C20 C19 SING N N 41 1BV C20 O41 SING N N 42 1BV C3 C1 SING N N 43 1BV C3 C2 SING N N 44 1BV O41 C42 SING N N 45 1BV C1 C2 SING N N 46 1BV C42 C43 DOUB Y N 47 1BV C42 C47 SING Y N 48 1BV C48 C47 DOUB Y N 49 1BV C48 C49 SING Y N 50 1BV C43 C44 SING Y N 51 1BV C47 C46 SING Y N 52 1BV C49 C50 DOUB Y N 53 1BV C46 N45 SING Y N 54 1BV C46 C51 DOUB Y N 55 1BV C44 N45 DOUB Y N 56 1BV C44 O52 SING N N 57 1BV C50 C51 SING Y N 58 1BV C50 O56 SING N N 59 1BV C57 O56 SING N N 60 1BV C51 C58 SING N N 61 1BV O52 C53 SING N N 62 1BV C55 C53 SING N N 63 1BV C53 C54 SING N N 64 1BV C1 H1 SING N N 65 1BV C1 H2 SING N N 66 1BV C2 H3 SING N N 67 1BV C2 H4 SING N N 68 1BV N7 H5 SING N N 69 1BV C11 H6 SING N N 70 1BV C11 H7 SING N N 71 1BV C12 H8 SING N N 72 1BV C13 H9 SING N N 73 1BV C13 H10 SING N N 74 1BV C14 H11 SING N N 75 1BV C14 H12 SING N N 76 1BV N15 H13 SING N N 77 1BV C18 H14 SING N N 78 1BV C19 H15 SING N N 79 1BV C19 H16 SING N N 80 1BV C20 H17 SING N N 81 1BV C21 H18 SING N N 82 1BV C21 H19 SING N N 83 1BV C25 H20 SING N N 84 1BV C26 H21 SING N N 85 1BV C27 H22 SING N N 86 1BV C28 H23 SING N N 87 1BV C28 H24 SING N N 88 1BV C29 H25 SING N N 89 1BV C30 H26 SING N N 90 1BV N31 H27 SING N N 91 1BV C37 H28 SING N N 92 1BV C38 H29 SING N N 93 1BV C39 H30 SING N N 94 1BV C39 H31 SING N N 95 1BV C39 H32 SING N N 96 1BV C40 H33 SING N N 97 1BV C40 H34 SING N N 98 1BV C40 H35 SING N N 99 1BV C43 H36 SING N N 100 1BV C48 H37 SING N N 101 1BV C49 H38 SING N N 102 1BV C53 H39 SING N N 103 1BV C54 H40 SING N N 104 1BV C54 H41 SING N N 105 1BV C54 H42 SING N N 106 1BV C55 H43 SING N N 107 1BV C55 H44 SING N N 108 1BV C55 H45 SING N N 109 1BV C57 H46 SING N N 110 1BV C57 H47 SING N N 111 1BV C57 H48 SING N N 112 1BV C58 H49 SING N N 113 1BV C58 H50 SING N N 114 1BV C58 H51 SING N N 115 # loop_ _pdbx_chem_comp_descriptor.comp_id _pdbx_chem_comp_descriptor.type _pdbx_chem_comp_descriptor.program _pdbx_chem_comp_descriptor.program_version _pdbx_chem_comp_descriptor.descriptor 1BV SMILES ACDLabs 12.01 "O=C(NC2C=CCC=CCCC6CC6(C(=O)NS(=O)(=O)C1(C)CC1)NC(=O)C5N(C2=O)CC(Oc3c4ccc(OC)c(c4nc(OC(C)C)c3)C)C5)c7nn(cc7)C" 1BV InChI InChI 1.03 ;InChI=1S/C41H51N7O9S/c1-24(2)56-34-21-33(28-14-15-32(55-6)25(3)35(28)43-34)57-27-20-31-37(50)44-41(39(52)46-58(53,54)40(4)17-18-40)22-26(41)12-10-8-7-9-11-13-30(38(51)48(31)23-27)42-36(49)29-16-19-47(5)45-29/h7-8,11,13-16,19,21,24,26-27,30-31H,9-10,12,17-18,20,22-23H2,1-6H3,(H,42,49)(H,44,50)(H,46,52)/b8-7+,13-11+/t26-,27-,30+,31+,41-/m1/s1 ; 1BV InChIKey InChI 1.03 ZHIQOLBHZJFLCW-QVARATBXSA-N 1BV SMILES_CANONICAL CACTVS 3.370 "COc1ccc2c(O[C@@H]3C[C@@H]4N(C3)C(=O)[C@@H](NC(=O)c5ccn(C)n5)/C=C/C/C=C/CC[C@@H]6C[C@]6(NC4=O)C(=O)N[S](=O)(=O)C7(C)CC7)cc(OC(C)C)nc2c1C" 1BV SMILES CACTVS 3.370 "COc1ccc2c(O[CH]3C[CH]4N(C3)C(=O)[CH](NC(=O)c5ccn(C)n5)C=CCC=CCC[CH]6C[C]6(NC4=O)C(=O)N[S](=O)(=O)C7(C)CC7)cc(OC(C)C)nc2c1C" 1BV SMILES_CANONICAL "OpenEye OEToolkits" 1.7.6 "Cc1c(ccc2c1nc(cc2O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5CC/C=C/C/C=C/[C@@H](C(=O)N4C3)NC(=O)c6ccn(n6)C)C(=O)NS(=O)(=O)C7(CC7)C)OC(C)C)OC" 1BV SMILES "OpenEye OEToolkits" 1.7.6 "Cc1c(ccc2c1nc(cc2OC3CC4C(=O)NC5(CC5CCC=CCC=CC(C(=O)N4C3)NC(=O)c6ccn(n6)C)C(=O)NS(=O)(=O)C7(CC7)C)OC(C)C)OC" # loop_ _pdbx_chem_comp_identifier.comp_id _pdbx_chem_comp_identifier.type _pdbx_chem_comp_identifier.program _pdbx_chem_comp_identifier.program_version _pdbx_chem_comp_identifier.identifier 1BV "SYSTEMATIC NAME" ACDLabs 12.01 ;(2R,6S,7E,10E,13aR,14aR,16aS)-2-{[7-methoxy-8-methyl-2-(propan-2-yloxy)quinolin-4-yl]oxy}-N-[(1-methylcyclopropyl)sulfonyl]-6-{[(1-methyl-1H-pyrazol-3-yl)carbonyl]amino}-5,16-dioxo-1,2,3,6,9,12,13,13a,14,15,16,16a-dodecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxamide ; # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site 1BV "Create component" 2012-11-28 RCSB 1BV "Initial release" 2012-12-28 RCSB #