data_QLQ # _chem_comp.id QLQ _chem_comp.name "~{N}-[(2~{R})-3-(7-methyl-2~{H}-indazol-5-yl)-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-piperidin-4-yl-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]amino]propan-2-yl]-2-oxidanylidene-spiro[1~{H}-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide" _chem_comp.type non-polymer _chem_comp.pdbx_type HETAIN _chem_comp.formula "C40 H49 N11 O5" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms ? _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2020-06-24 _chem_comp.pdbx_modified_date 2020-07-10 _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 763.888 _chem_comp.one_letter_code ? _chem_comp.three_letter_code QLQ _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 6ZHO _chem_comp.pdbx_subcomponent_list ? _chem_comp.pdbx_processing_site PDBE # # 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 QLQ C1 C1 C 0 1 Y N N 20.021 24.620 -6.969 4.256 -6.183 -1.114 C1 QLQ 1 QLQ C10 C2 C 0 1 Y N N 18.754 30.678 -6.009 -9.260 -2.958 -3.226 C10 QLQ 2 QLQ C11 C3 C 0 1 Y N N 9.088 24.230 -1.715 2.828 4.950 -1.843 C11 QLQ 3 QLQ C12 C4 C 0 1 Y N N 18.760 22.695 -7.708 5.070 -4.050 -0.454 C12 QLQ 4 QLQ C13 C5 C 0 1 Y N N 10.439 22.833 -3.143 1.771 3.660 -0.129 C13 QLQ 5 QLQ C14 C6 C 0 1 Y N N 9.342 21.844 -1.172 4.156 3.952 -0.004 C14 QLQ 6 QLQ C15 C7 C 0 1 Y N N 8.828 23.116 -0.914 4.124 4.724 -1.185 C15 QLQ 7 QLQ C16 C8 C 0 1 Y N N 17.553 29.548 -4.229 -8.415 -1.788 -1.321 C16 QLQ 8 QLQ C17 C9 C 0 1 Y N N 19.474 22.770 -8.896 6.361 -4.569 -0.493 C17 QLQ 9 QLQ C18 C10 C 0 1 N N N 18.550 20.682 -9.684 7.197 -2.555 0.446 C18 QLQ 10 QLQ C19 C11 C 0 1 N N N 16.129 24.740 -2.107 -4.569 1.765 -0.206 C19 QLQ 11 QLQ C2 C12 C 0 1 Y N N 19.063 23.642 -6.724 3.999 -4.865 -0.755 C2 QLQ 12 QLQ C20 C13 C 0 1 N N N 13.373 23.696 -3.384 -1.022 1.133 0.414 C20 QLQ 13 QLQ C21 C14 C 0 1 N N N 14.633 21.269 -5.077 2.517 0.744 -0.413 C21 QLQ 14 QLQ C22 C15 C 0 1 N N N 17.708 20.890 -6.193 4.850 -1.740 -1.331 C22 QLQ 15 QLQ C23 C16 C 0 1 N N N 16.308 22.306 -7.806 3.538 -2.456 0.674 C23 QLQ 16 QLQ C24 C17 C 0 1 N N N 12.346 24.670 0.280 -2.739 1.679 4.425 C24 QLQ 17 QLQ C25 C18 C 0 1 N N N 13.866 23.818 2.163 -2.803 -0.407 3.055 C25 QLQ 18 QLQ C26 C19 C 0 1 N N N 16.447 20.029 -6.130 4.684 -0.270 -0.932 C26 QLQ 19 QLQ C27 C20 C 0 1 N N N 15.051 21.432 -7.569 3.355 -0.994 1.094 C27 QLQ 20 QLQ C28 C21 C 0 1 N N N 18.163 27.224 -3.704 -7.383 0.284 -1.774 C28 QLQ 21 QLQ C29 C22 C 0 1 N N N 16.074 28.368 -2.664 -6.612 -1.122 0.045 C29 QLQ 22 QLQ C3 C23 C 0 1 Y N N 16.881 30.752 -3.978 -8.872 -2.842 -0.531 C3 QLQ 23 QLQ C30 C24 C 0 1 N N N 18.053 26.171 -2.614 -6.845 1.547 -1.092 C30 QLQ 24 QLQ C31 C25 C 0 1 N N N 16.038 27.233 -1.657 -6.042 0.083 0.801 C31 QLQ 25 QLQ C32 C26 C 0 1 N N N 11.187 24.748 1.251 -1.719 1.001 5.343 C32 QLQ 26 QLQ C33 C27 C 0 1 N N N 12.612 23.660 3.003 -1.781 -1.024 4.013 C33 QLQ 27 QLQ C34 C28 C 0 1 N N N 13.733 24.743 0.933 -2.601 1.110 3.010 C34 QLQ 28 QLQ C35 C29 C 0 1 N N N 17.698 21.638 -7.547 4.865 -2.607 -0.071 C35 QLQ 29 QLQ C36 C30 C 0 1 N N N 9.041 20.672 -0.290 5.464 3.697 0.700 C36 QLQ 30 QLQ C37 C31 C 0 1 N N N 11.324 22.658 -4.362 0.526 3.069 0.480 C37 QLQ 31 QLQ C38 C32 C 0 1 N N N 14.900 24.444 -0.029 -3.659 1.740 2.101 C38 QLQ 32 QLQ C39 C33 C 0 1 N N S 14.706 24.633 -1.553 -3.442 1.266 0.662 C39 QLQ 33 QLQ C4 C34 C 0 1 Y N N 18.497 29.531 -5.265 -8.619 -1.857 -2.699 C4 QLQ 34 QLQ C40 C35 C 0 1 N N R 12.785 22.422 -3.975 0.287 1.674 -0.101 C40 QLQ 35 QLQ C5 C36 C 0 1 Y N N 9.901 24.096 -2.855 1.667 4.392 -1.266 C5 QLQ 36 QLQ C6 C37 C 0 1 Y N N 10.182 21.728 -2.303 3.003 3.439 0.492 C6 QLQ 37 QLQ C7 C38 C 0 1 Y N N 20.645 24.603 -8.190 5.562 -6.629 -1.153 C7 QLQ 38 QLQ C8 C39 C 0 1 Y N N 8.375 25.282 -1.091 3.086 5.725 -2.959 C8 QLQ 39 QLQ C9 C40 C 0 1 Y N N 17.177 31.872 -4.756 -9.504 -3.908 -1.137 C9 QLQ 40 QLQ N1 N1 N 0 1 Y N N 20.403 23.702 -9.152 6.565 -5.826 -0.848 N1 QLQ 41 QLQ N10 N2 N 0 1 N N N 13.537 22.088 -5.193 1.377 0.782 0.304 N10 QLQ 42 QLQ N11 N3 N 0 1 N N N 11.635 24.732 2.674 -1.954 -0.449 5.353 N11 QLQ 43 QLQ N2 N4 N 0 1 Y N N 7.721 24.874 0.015 4.404 5.961 -3.000 N2 QLQ 44 QLQ N3 N5 N 0 1 Y N N 8.001 23.562 0.111 5.034 5.346 -1.913 N3 QLQ 45 QLQ N4 N6 N 0 1 Y N N 18.086 31.791 -5.731 -9.678 -3.936 -2.445 N4 QLQ 46 QLQ N5 N7 N 0 1 N N N 19.249 21.827 -9.891 7.430 -3.750 -0.130 N5 QLQ 47 QLQ N6 N8 N 0 1 N N N 17.281 28.390 -3.501 -7.771 -0.694 -0.749 N6 QLQ 48 QLQ N7 N9 N 0 1 N N N 16.685 26.011 -2.138 -5.770 1.156 -0.167 N7 QLQ 49 QLQ N8 N10 N 0 1 N N N 15.272 20.900 -6.243 3.483 -0.141 -0.095 N8 QLQ 50 QLQ N9 N11 N 0 1 N N N 14.083 23.479 -2.217 -2.170 1.792 0.161 N9 QLQ 51 QLQ O1 O1 O 0 1 N N N 18.494 19.776 -10.477 8.124 -1.793 0.639 O1 QLQ 52 QLQ O2 O2 O 0 1 N N N 16.728 23.736 -2.509 -4.394 2.715 -0.939 O2 QLQ 53 QLQ O3 O3 O 0 1 N N N 13.224 24.801 -3.880 -1.043 0.104 1.056 O3 QLQ 54 QLQ O4 O4 O 0 1 N N N 15.001 20.813 -4.007 2.675 1.508 -1.345 O4 QLQ 55 QLQ O5 O5 O 0 1 N N N 17.805 20.617 -8.563 5.957 -2.189 0.792 O5 QLQ 56 QLQ H1 H1 H 0 1 N N N 20.264 25.365 -6.226 3.443 -6.852 -1.355 H1 QLQ 57 QLQ H2 H2 H 0 1 N N N 19.487 30.663 -6.802 -9.427 -3.018 -4.292 H2 QLQ 58 QLQ H3 H3 H 0 1 N N N 18.552 23.614 -5.773 2.987 -4.489 -0.714 H3 QLQ 59 QLQ H4 H4 H 0 1 N N N 18.601 20.252 -6.124 4.019 -2.040 -1.969 H4 QLQ 60 QLQ H5 H5 H 0 1 N N N 17.709 21.614 -5.365 5.788 -1.867 -1.871 H5 QLQ 61 QLQ H6 H6 H 0 1 N N N 16.289 22.636 -8.855 3.544 -3.091 1.560 H6 QLQ 62 QLQ H7 H7 H 0 1 N N N 16.233 23.182 -7.144 2.718 -2.752 0.020 H7 QLQ 63 QLQ H8 H8 H 0 1 N N N 12.256 25.506 -0.429 -3.746 1.489 4.797 H8 QLQ 64 QLQ H9 H9 H 0 1 N N N 12.273 23.717 -0.265 -2.554 2.753 4.405 H9 QLQ 65 QLQ H10 H10 H 0 1 N N N 14.162 22.821 1.806 -2.664 -0.823 2.057 H10 QLQ 66 QLQ H11 H11 H 0 1 N N N 14.657 24.226 2.809 -3.811 -0.630 3.406 H11 QLQ 67 QLQ H12 H12 H 0 1 N N N 16.416 19.489 -5.172 5.558 0.057 -0.370 H12 QLQ 68 QLQ H13 H13 H 0 1 N N N 16.452 19.306 -6.959 4.576 0.341 -1.828 H13 QLQ 69 QLQ H14 H14 H 0 1 N N N 14.135 22.039 -7.604 2.367 -0.861 1.535 H14 QLQ 70 QLQ H15 H15 H 0 1 N N N 14.984 20.625 -8.313 4.121 -0.724 1.821 H15 QLQ 71 QLQ H16 H16 H 0 1 N N N 17.903 26.756 -4.665 -8.252 0.540 -2.380 H16 QLQ 72 QLQ H17 H17 H 0 1 N N N 19.204 27.579 -3.739 -6.609 -0.144 -2.411 H17 QLQ 73 QLQ H18 H18 H 0 1 N N N 16.018 29.319 -2.114 -5.848 -1.531 -0.617 H18 QLQ 74 QLQ H19 H19 H 0 1 N N N 15.198 28.273 -3.323 -6.921 -1.886 0.759 H19 QLQ 75 QLQ H20 H20 H 0 1 N N N 16.143 30.812 -3.192 -8.732 -2.826 0.539 H20 QLQ 76 QLQ H21 H21 H 0 1 N N N 18.403 25.208 -3.015 -6.450 2.229 -1.845 H21 QLQ 77 QLQ H22 H22 H 0 1 N N N 18.690 26.469 -1.768 -7.647 2.034 -0.538 H22 QLQ 78 QLQ H23 H23 H 0 1 N N N 16.551 27.562 -0.741 -6.766 0.429 1.538 H23 QLQ 79 QLQ H24 H24 H 0 1 N N N 14.987 27.004 -1.426 -5.117 -0.204 1.303 H24 QLQ 80 QLQ H25 H25 H 0 1 N N N 10.633 25.680 1.066 -0.711 1.202 4.978 H25 QLQ 81 QLQ H26 H26 H 0 1 N N N 10.524 23.887 1.080 -1.824 1.393 6.354 H26 QLQ 82 QLQ H27 H27 H 0 1 N N N 12.158 22.679 2.798 -1.932 -2.103 4.059 H27 QLQ 83 QLQ H28 H28 H 0 1 N N N 12.878 23.725 4.068 -0.774 -0.813 3.654 H28 QLQ 84 QLQ H29 H29 H 0 1 N N N 13.868 25.774 1.291 -1.607 1.334 2.622 H29 QLQ 85 QLQ H30 H30 H 0 1 N N N 9.795 20.610 0.508 5.644 4.487 1.430 H30 QLQ 86 QLQ H31 H31 H 0 1 N N N 8.044 20.796 0.157 5.421 2.735 1.210 H31 QLQ 87 QLQ H32 H32 H 0 1 N N N 9.063 19.749 -0.887 6.274 3.686 -0.030 H32 QLQ 88 QLQ H33 H33 H 0 1 N N N 11.262 23.566 -4.980 0.649 2.996 1.561 H33 QLQ 89 QLQ H34 H34 H 0 1 N N N 10.965 21.794 -4.941 -0.327 3.708 0.254 H34 QLQ 90 QLQ H35 H35 H 0 1 N N N 15.182 23.392 0.129 -4.652 1.439 2.437 H35 QLQ 91 QLQ H36 H36 H 0 1 N N N 15.734 25.096 0.269 -3.574 2.826 2.143 H36 QLQ 92 QLQ H37 H37 H 0 1 N N N 14.146 25.559 -1.752 -3.420 0.177 0.637 H37 QLQ 93 QLQ H38 H38 H 0 1 N N N 19.030 28.619 -5.488 -8.279 -1.060 -3.344 H38 QLQ 94 QLQ H39 H39 H 0 1 N N N 12.850 21.604 -3.242 0.252 1.734 -1.189 H39 QLQ 95 QLQ H40 H40 H 0 1 N N N 10.106 24.944 -3.492 0.702 4.548 -1.725 H40 QLQ 96 QLQ H41 H41 H 0 1 N N N 10.636 20.775 -2.529 3.037 2.849 1.396 H41 QLQ 97 QLQ H42 H42 H 0 1 N N N 21.381 25.367 -8.390 5.766 -7.651 -1.436 H42 QLQ 98 QLQ H43 H43 H 0 1 N N N 8.357 26.297 -1.460 2.354 6.076 -3.671 H43 QLQ 99 QLQ H44 H44 H 0 1 N N N 16.670 32.807 -4.569 -9.861 -4.729 -0.534 H44 QLQ 100 QLQ H45 H45 H 0 1 N N N 13.258 22.448 -6.083 1.277 0.220 1.088 H45 QLQ 101 QLQ H46 H46 H 0 1 N N N 12.060 25.614 2.877 -1.356 -0.907 6.023 H46 QLQ 102 QLQ H48 H48 H 0 1 N N N 7.154 25.424 0.628 4.854 6.482 -3.684 H48 QLQ 103 QLQ H49 H49 H 0 1 N N N 19.620 22.000 -10.803 8.341 -4.044 -0.286 H49 QLQ 104 QLQ H50 H50 H 0 1 N N N 14.170 22.559 -1.834 -2.154 2.615 -0.352 H50 QLQ 105 # # 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 QLQ O1 C18 DOUB N N 1 QLQ N5 C18 SING N N 2 QLQ N5 C17 SING N N 3 QLQ C18 O5 SING N N 4 QLQ N1 C17 DOUB Y N 5 QLQ N1 C7 SING Y N 6 QLQ C17 C12 SING Y N 7 QLQ O5 C35 SING N N 8 QLQ C7 C1 DOUB Y N 9 QLQ C23 C27 SING N N 10 QLQ C23 C35 SING N N 11 QLQ C12 C35 SING N N 12 QLQ C12 C2 DOUB Y N 13 QLQ C27 N8 SING N N 14 QLQ C35 C22 SING N N 15 QLQ C1 C2 SING Y N 16 QLQ N8 C26 SING N N 17 QLQ N8 C21 SING N N 18 QLQ C22 C26 SING N N 19 QLQ C10 N4 DOUB Y N 20 QLQ C10 C4 SING Y N 21 QLQ N4 C9 SING Y N 22 QLQ C4 C16 DOUB Y N 23 QLQ N10 C21 SING N N 24 QLQ N10 C40 SING N N 25 QLQ C21 O4 DOUB N N 26 QLQ C9 C3 DOUB Y N 27 QLQ C37 C40 SING N N 28 QLQ C37 C13 SING N N 29 QLQ C16 C3 SING Y N 30 QLQ C16 N6 SING N N 31 QLQ C40 C20 SING N N 32 QLQ O3 C20 DOUB N N 33 QLQ C28 N6 SING N N 34 QLQ C28 C30 SING N N 35 QLQ N6 C29 SING N N 36 QLQ C20 N9 SING N N 37 QLQ C13 C5 DOUB Y N 38 QLQ C13 C6 SING Y N 39 QLQ C5 C11 SING Y N 40 QLQ C29 C31 SING N N 41 QLQ C30 N7 SING N N 42 QLQ O2 C19 DOUB N N 43 QLQ C6 C14 DOUB Y N 44 QLQ N9 C39 SING N N 45 QLQ N7 C19 SING N N 46 QLQ N7 C31 SING N N 47 QLQ C19 C39 SING N N 48 QLQ C11 C8 DOUB Y N 49 QLQ C11 C15 SING Y N 50 QLQ C39 C38 SING N N 51 QLQ C14 C15 SING Y N 52 QLQ C14 C36 SING N N 53 QLQ C8 N2 SING Y N 54 QLQ C15 N3 DOUB Y N 55 QLQ C38 C34 SING N N 56 QLQ N2 N3 SING Y N 57 QLQ C24 C34 SING N N 58 QLQ C24 C32 SING N N 59 QLQ C34 C25 SING N N 60 QLQ C32 N11 SING N N 61 QLQ C25 C33 SING N N 62 QLQ N11 C33 SING N N 63 QLQ C1 H1 SING N N 64 QLQ C10 H2 SING N N 65 QLQ C2 H3 SING N N 66 QLQ C22 H4 SING N N 67 QLQ C22 H5 SING N N 68 QLQ C23 H6 SING N N 69 QLQ C23 H7 SING N N 70 QLQ C24 H8 SING N N 71 QLQ C24 H9 SING N N 72 QLQ C25 H10 SING N N 73 QLQ C25 H11 SING N N 74 QLQ C26 H12 SING N N 75 QLQ C26 H13 SING N N 76 QLQ C27 H14 SING N N 77 QLQ C27 H15 SING N N 78 QLQ C28 H16 SING N N 79 QLQ C28 H17 SING N N 80 QLQ C29 H18 SING N N 81 QLQ C29 H19 SING N N 82 QLQ C3 H20 SING N N 83 QLQ C30 H21 SING N N 84 QLQ C30 H22 SING N N 85 QLQ C31 H23 SING N N 86 QLQ C31 H24 SING N N 87 QLQ C32 H25 SING N N 88 QLQ C32 H26 SING N N 89 QLQ C33 H27 SING N N 90 QLQ C33 H28 SING N N 91 QLQ C34 H29 SING N N 92 QLQ C36 H30 SING N N 93 QLQ C36 H31 SING N N 94 QLQ C36 H32 SING N N 95 QLQ C37 H33 SING N N 96 QLQ C37 H34 SING N N 97 QLQ C38 H35 SING N N 98 QLQ C38 H36 SING N N 99 QLQ C39 H37 SING N N 100 QLQ C4 H38 SING N N 101 QLQ C40 H39 SING N N 102 QLQ C5 H40 SING N N 103 QLQ C6 H41 SING N N 104 QLQ C7 H42 SING N N 105 QLQ C8 H43 SING N N 106 QLQ C9 H44 SING N N 107 QLQ N10 H45 SING N N 108 QLQ N11 H46 SING N N 109 QLQ N2 H48 SING N N 110 QLQ N5 H49 SING N N 111 QLQ N9 H50 SING N N 112 # # 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 QLQ InChI InChI 1.03 "InChI=1S/C40H49N11O5/c1-26-21-28(22-29-25-44-48-34(26)29)24-32(46-38(54)51-15-8-40(9-16-51)31-3-2-10-43-35(31)47-39(55)56-40)36(52)45-33(23-27-4-11-41-12-5-27)37(53)50-19-17-49(18-20-50)30-6-13-42-14-7-30/h2-3,6-7,10,13-14,21-22,25,27,32-33,41H,4-5,8-9,11-12,15-20,23-24H2,1H3,(H,44,48)(H,45,52)(H,46,54)(H,43,47,55)/t32-,33+/m1/s1" QLQ InChIKey InChI 1.03 LIPVCPUZWNTQHV-SAIUNTKASA-N QLQ SMILES_CANONICAL CACTVS 3.385 "Cc1cc(C[C@@H](NC(=O)N2CCC3(CC2)OC(=O)Nc4ncccc34)C(=O)N[C@@H](CC5CCNCC5)C(=O)N6CCN(CC6)c7ccncc7)cc8c[nH]nc18" QLQ SMILES CACTVS 3.385 "Cc1cc(C[CH](NC(=O)N2CCC3(CC2)OC(=O)Nc4ncccc34)C(=O)N[CH](CC5CCNCC5)C(=O)N6CCN(CC6)c7ccncc7)cc8c[nH]nc18" QLQ SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "Cc1cc(cc2c1n[nH]c2)C[C@H](C(=O)N[C@@H](CC3CCNCC3)C(=O)N4CCN(CC4)c5ccncc5)NC(=O)N6CCC7(CC6)c8cccnc8NC(=O)O7" QLQ SMILES "OpenEye OEToolkits" 2.0.7 "Cc1cc(cc2c1n[nH]c2)CC(C(=O)NC(CC3CCNCC3)C(=O)N4CCN(CC4)c5ccncc5)NC(=O)N6CCC7(CC6)c8cccnc8NC(=O)O7" # _pdbx_chem_comp_identifier.comp_id QLQ _pdbx_chem_comp_identifier.type "SYSTEMATIC NAME" _pdbx_chem_comp_identifier.program "OpenEye OEToolkits" _pdbx_chem_comp_identifier.program_version 2.0.7 _pdbx_chem_comp_identifier.identifier "~{N}-[(2~{R})-3-(7-methyl-2~{H}-indazol-5-yl)-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-piperidin-4-yl-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]amino]propan-2-yl]-2-oxidanylidene-spiro[1~{H}-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-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 QLQ "Create component" 2020-06-24 PDBE QLQ "Initial release" 2020-07-15 RCSB ##