data_9F0 # _chem_comp.id 9F0 _chem_comp.name "4-[1-(2,5,8-triazonia-1$l^4-platinabicyclo[3.3.0]octan-1-yl)pyridin-1-ium-4-yl]-N,N-bis[4-[1-(2,5,8-triazonia-1$l^4-platinabicyclo[3.3.0]octan-1-yl)pyridin-1-ium-4-yl]phenyl]aniline" _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "C45 H63 N13 Pt3" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms ? _chem_comp.pdbx_formal_charge ? _chem_comp.pdbx_initial_date 2018-03-31 _chem_comp.pdbx_modified_date 2026-09-16 _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 1371.303 _chem_comp.one_letter_code ? _chem_comp.three_letter_code 9F0 _chem_comp.pdbx_model_coordinates_details ? _chem_comp.pdbx_model_coordinates_missing_flag N _chem_comp.pdbx_ideal_coordinates_details MetalCoord _chem_comp.pdbx_ideal_coordinates_missing_flag N _chem_comp.pdbx_model_coordinates_db_code 5Z8F _chem_comp.pdbx_subcomponent_list ? _chem_comp.pdbx_processing_site RCSB _chem_comp.pdbx_comp_type "metal-containing ligand" _chem_comp.pdbx_pcm ? # 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.pdbx_backbone_atom_flag _chem_comp_atom.pdbx_n_terminal_atom_flag _chem_comp_atom.pdbx_c_terminal_atom_flag _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 9F0 C2 C1 C 0 1 Y N N N N N -25.044 -2.123 -0.324 0.252 1.278 0.409 C2 9F0 1 9F0 C3 C2 C 0 1 Y N N N N N -25.168 -3.531 -2.382 0.982 -1.115 0.338 C3 9F0 2 9F0 C4 C3 C 0 1 Y N N N N N -25.022 -1.047 -2.573 -1.468 -0.526 0.377 C4 9F0 3 9F0 C5 C4 C 0 1 Y N N N N N -24.337 -3.829 -3.465 2.150 -0.846 -0.373 C5 9F0 4 9F0 C7 C5 C 0 1 Y N N N N N -25.279 -6.058 -3.588 3.117 -3.009 0.200 C7 9F0 5 9F0 C8 C6 C 0 1 Y N N N N N -26.116 -5.762 -2.503 1.965 -3.238 0.963 C8 9F0 6 9F0 C10 C7 C 0 1 Y N N N N N -23.974 -0.139 -2.379 -2.430 0.059 1.201 C10 9F0 7 9F0 C12 C8 C 0 1 Y N N N N N -24.852 1.263 -4.143 -4.197 -1.359 0.301 C12 9F0 8 9F0 C14 C9 C 0 1 Y N N N N N -25.987 -0.798 -3.553 -1.887 -1.567 -0.449 C14 9F0 9 9F0 C21 C10 C 0 1 Y N N N N N -24.845 -1.814 3.949 1.149 5.548 0.373 C21 9F0 10 9F0 C22 C11 C 0 1 Y N N N N N -24.755 2.494 -4.978 -5.643 -1.770 0.214 C22 9F0 11 9F0 C23 C12 C 0 1 Y N N N N N -25.676 -8.534 -3.491 4.134 -5.339 0.482 C23 9F0 12 9F0 C24 C13 C 0 1 Y N N N N N -25.708 -9.782 -4.101 5.207 -6.204 0.380 C24 9F0 13 9F0 C27 C14 C 0 1 Y N N N N N -25.008 -7.555 -5.582 5.516 -3.652 -0.362 C27 9F0 14 9F0 C28 C15 C 0 1 Y N N N N N -24.517 3.728 -4.385 -6.161 -2.409 -0.901 C28 9F0 15 9F0 N30 N1 N 0 1 Y N N N N N -24.573 4.775 -6.532 -8.375 -2.486 -0.003 N30 9F0 16 9F0 C32 C16 C 0 1 Y N N N N N -24.899 2.415 -6.357 -6.572 -1.471 1.200 C32 9F0 17 9F0 C34 C17 C 0 1 Y N N N N N -24.672 -0.484 5.942 2.227 7.523 1.225 C34 9F0 18 9F0 N41 N2 N 0 1 N N N N N N -22.565 -1.146 8.629 0.587 10.893 -0.688 N41 9F0 19 9F0 C50 C18 C 0 1 N N N N N N -22.104 -0.898 10.082 0.597 12.319 -0.331 C50 9F0 20 9F0 C51 C19 C 0 1 N N N N N N -23.288 -0.432 10.969 1.928 12.973 -0.636 C51 9F0 21 9F0 N49 N3 N 0 1 N N N N N N -24.476 -1.327 10.736 2.990 11.979 -0.881 N49 9F0 22 9F0 C52 C20 C 0 1 N N N N N N -25.841 -0.839 11.140 4.310 12.189 -0.256 C52 9F0 23 9F0 C53 C21 C 0 1 N N N N N N -26.934 -1.651 10.399 5.117 10.910 -0.272 C53 9F0 24 9F0 N42 N4 N 0 1 N N N N N N -26.607 -1.785 8.896 4.330 9.800 0.286 N42 9F0 25 9F0 PT2 PT1 PT ? 0 N N N N N N -24.586 -1.473 8.744 2.409 10.180 -0.208 PT2 9F0 26 9F0 N35 N5 N 0 1 Y N N N N N -24.697 -1.619 6.703 1.799 8.304 0.239 N35 9F0 27 9F0 C36 C22 C 0 1 Y N N N N N -24.796 -2.850 6.114 1.045 7.710 -0.676 C36 9F0 28 9F0 C37 C23 C 0 1 Y N N N N N -24.871 -2.960 4.734 0.718 6.371 -0.657 C37 9F0 29 9F0 C33 C24 C 0 1 Y N N N N N -24.744 -0.569 4.559 1.948 6.173 1.320 C33 9F0 30 9F0 C17 C25 C 0 1 Y N N N N N -24.920 -1.920 2.463 0.823 4.076 0.414 C17 9F0 31 9F0 C18 C26 C 0 1 Y N N N N N -25.620 -0.960 1.722 -0.163 3.514 -0.404 C18 9F0 32 9F0 C19 C27 C 0 1 Y N N N N N -25.682 -1.062 0.328 -0.471 2.169 -0.380 C19 9F0 33 9F0 C16 C28 C 0 1 Y N N N N N -24.286 -2.979 1.809 1.521 3.169 1.222 C16 9F0 34 9F0 C15 C29 C 0 1 Y N N N N N -24.347 -3.080 0.421 1.223 1.819 1.250 C15 9F0 35 9F0 N1 N6 N 0 1 N N N N N N -25.097 -2.233 -1.761 -0.078 -0.132 0.445 N1 9F0 36 9F0 C13 C30 C 0 1 Y N N N N N -25.902 0.358 -4.340 -3.215 -1.938 -0.512 C13 9F0 37 9F0 C11 C31 C 0 1 Y N N N N N -23.891 1.013 -3.162 -3.757 -0.325 1.135 C11 9F0 38 9F0 C31 C32 C 0 1 Y N N N N N -24.806 3.567 -7.127 -7.892 -1.856 1.062 C31 9F0 39 9F0 C29 C33 C 0 1 Y N N N N N -24.428 4.867 -5.175 -7.496 -2.753 -0.960 C29 9F0 40 9F0 PT1 PT2 PT ? 0 N N N N N N -24.438 6.466 -7.684 -10.309 -2.931 -0.385 PT1 9F0 41 9F0 N47 N7 N 0 1 N N N N N N -22.392 6.352 -7.648 -9.962 -4.918 -0.608 N47 9F0 42 9F0 C60 C34 C 0 1 N N N N N N -21.899 7.516 -8.535 -11.205 -5.534 -1.096 C60 9F0 43 9F0 C61 C35 C 0 1 N N N N N N -22.999 7.953 -9.537 -12.404 -4.751 -0.613 C61 9F0 44 9F0 N46 N8 N 0 1 N N N N N N -24.307 8.114 -8.810 -12.209 -3.319 -0.903 N46 9F0 45 9F0 C59 C36 C 0 1 N N N N N N -25.583 8.111 -9.606 -13.016 -2.339 -0.152 C59 9F0 46 9F0 C58 C37 C 0 1 N N N N N N -26.786 7.804 -8.678 -12.370 -0.975 -0.240 C58 9F0 47 9F0 N48 N9 N 0 1 N N N N N N -26.483 6.605 -7.752 -10.939 -1.068 0.087 N48 9F0 48 9F0 C9 C38 C 0 1 Y N N N N N -26.060 -4.499 -1.900 0.936 -2.317 1.045 C9 9F0 49 9F0 C6 C39 C 0 1 Y N N N N N -24.391 -5.087 -4.066 3.170 -1.772 -0.452 C6 9F0 50 9F0 C20 C40 C 0 1 Y N N N N N -25.324 -7.410 -4.234 4.267 -4.004 0.125 C20 9F0 51 9F0 C26 C41 C 0 1 Y N N N N N -25.047 -8.813 -6.169 6.534 -4.580 -0.428 C26 9F0 52 9F0 N25 N10 N 0 1 Y N N N N N -25.394 -9.910 -5.428 6.406 -5.849 -0.071 N25 9F0 53 9F0 PT3 PT3 PT ? 0 N N N N N N -25.438 -11.764 -6.312 8.110 -6.892 -0.333 PT3 9F0 54 9F0 N43 N11 N 0 1 N N N N N N -23.639 -12.239 -5.450 8.829 -6.393 1.492 N43 9F0 55 9F0 C57 C42 C 0 1 N N N N N N -23.354 -13.696 -5.874 10.249 -6.779 1.521 C57 9F0 56 9F0 C56 C43 C 0 1 N N N N N N -24.668 -14.433 -6.247 10.496 -7.948 0.594 C56 9F0 57 9F0 N45 N12 N 0 1 N N N N N N -25.483 -13.571 -7.174 9.918 -7.655 -0.730 N45 9F0 58 9F0 C55 C44 C 0 1 N N N N N N -26.959 -13.871 -7.339 9.665 -8.777 -1.652 C55 9F0 59 9F0 C54 C45 C 0 1 N N N N N N -27.551 -12.600 -8.014 8.666 -8.351 -2.705 C54 9F0 60 9F0 N44 N13 N 0 1 N N N N N N -27.232 -11.344 -7.184 7.496 -7.725 -2.071 N44 9F0 61 9F0 H5 H1 H 0 1 N N N N N N -23.651 -3.083 -3.838 2.225 -0.045 -0.861 H5 9F0 62 9F0 H8 H2 H 0 1 N N N N N N -26.804 -6.508 -2.132 1.874 -4.046 1.437 H8 9F0 63 9F0 H10 H3 H 0 1 N N N N N N -23.228 -0.331 -1.622 -2.180 0.757 1.781 H10 9F0 64 9F0 H14 H4 H 0 1 N N N N N N -26.797 -1.496 -3.703 -1.265 -1.990 -1.015 H14 9F0 65 9F0 H23 H5 H 0 1 N N N N N N -25.923 -8.436 -2.444 3.314 -5.667 0.811 H23 9F0 66 9F0 H24 H6 H 0 1 N N N N N N -25.982 -10.655 -3.526 5.083 -7.103 0.642 H24 9F0 67 9F0 H27 H7 H 0 1 N N N N N N -24.733 -6.692 -6.170 5.695 -2.768 -0.627 H27 9F0 68 9F0 H28 H8 H 0 1 N N N N N N -24.402 3.801 -3.314 -5.605 -2.634 -1.627 H28 9F0 69 9F0 H32 H9 H 0 1 N N N N N N -25.083 1.461 -6.829 -6.305 -1.035 1.992 H32 9F0 70 9F0 H34 H10 H 0 1 N N N N N N -24.596 0.482 6.419 2.763 7.915 1.897 H34 9F0 71 9F0 H9X H11 H 0 1 N N N N N N -22.103 -1.946 8.247 -0.072 10.476 -0.279 H9X 9F0 72 9F0 H50 H12 H 0 1 N N N N N N -21.692 -1.832 10.493 0.397 12.411 0.627 H50 9F0 73 9F0 H9L H13 H 0 1 N N N N N N -21.325 -0.121 10.085 -0.116 12.776 -0.830 H9L 9F0 74 9F0 H51 H14 H 0 1 N N N N N N -22.994 -0.482 12.028 2.165 13.550 0.120 H51 9F0 75 9F0 H9M H15 H 0 1 N N N N N N -23.554 0.604 10.711 1.825 13.540 -1.428 H9M 9F0 76 9F0 H9N H16 H 0 1 N N N N N N -25.939 0.225 10.881 4.794 12.891 -0.737 H9N 9F0 77 9F0 H52 H17 H 0 1 N N N N N N -25.967 -0.965 12.226 4.201 12.476 0.675 H52 9F0 78 9F0 H9O H18 H 0 1 N N N N N N -27.900 -1.138 10.512 5.378 10.694 -1.195 H9O 9F0 79 9F0 H53 H19 H 0 1 N N N N N N -26.998 -2.655 10.843 5.936 11.028 0.258 H53 9F0 80 9F0 H9Y H20 H 0 1 N N N N N N -27.107 -1.099 8.367 4.632 9.025 -0.004 H9Y 9F0 81 9F0 H36 H21 H 0 1 N N N N N N -24.816 -3.739 6.726 0.724 8.235 -1.391 H36 9F0 82 9F0 H37 H22 H 0 1 N N N N N N -24.949 -3.933 4.271 0.184 6.030 -1.351 H37 9F0 83 9F0 H33 H23 H 0 1 N N N N N N -24.722 0.329 3.959 2.286 5.690 2.054 H33 9F0 84 9F0 H18 H24 H 0 1 N N N N N N -26.112 -0.141 2.226 -0.669 4.066 -0.972 H18 9F0 85 9F0 H19 H25 H 0 1 N N N N N N -26.222 -0.322 -0.244 -1.143 1.843 -0.954 H19 9F0 86 9F0 H16 H26 H 0 1 N N N N N N -23.748 -3.721 2.380 2.206 3.480 1.787 H16 9F0 87 9F0 H15 H27 H 0 1 N N N N N N -23.855 -3.900 -0.081 1.721 1.248 1.810 H15 9F0 88 9F0 H13 H28 H 0 1 N N N N N N -26.646 0.551 -5.098 -3.447 -2.637 -1.096 H13 9F0 89 9F0 H11 H29 H 0 1 N N N N N N -23.082 1.712 -3.009 -4.372 0.116 1.694 H11 9F0 90 9F0 H31 H30 H 0 1 N N N N N N -24.918 3.508 -8.200 -8.491 -1.652 1.763 H31 9F0 91 9F0 H29 H31 H 0 1 N N N N N N -24.244 5.827 -4.717 -7.806 -3.201 -1.731 H29 9F0 92 9F0 H91 H32 H 0 1 N N N N N N -22.084 5.476 -8.018 -9.770 -5.211 0.202 H91 9F0 93 9F0 H9V H33 H 0 1 N N N N N N -21.010 7.190 -9.095 -11.196 -5.554 -2.079 H9V 9F0 94 9F0 H60 H34 H 0 1 N N N N N N -21.636 8.370 -7.894 -11.261 -6.460 -0.771 H60 9F0 95 9F0 H9W H35 H 0 1 N N N N N N -23.107 7.188 -10.320 -13.214 -5.071 -1.060 H9W 9F0 96 9F0 H61 H36 H 0 1 N N N N N N -22.715 8.911 -9.997 -12.510 -4.891 0.352 H61 9F0 97 9F0 H59 H37 H 0 1 N N N N N N -25.724 9.098 -10.071 -13.079 -2.603 0.790 H59 9F0 98 9F0 H9U H38 H 0 1 N N N N N N -25.522 7.341 -10.390 -13.921 -2.305 -0.523 H9U 9F0 99 9F0 H58 H39 H 0 1 N N N N N N -26.999 8.689 -8.061 -12.810 -0.359 0.388 H58 9F0 100 9F0 H9T H40 H 0 1 N N N N N N -27.665 7.568 -9.296 -12.476 -0.615 -1.148 H9T 9F0 101 9F0 H48 H41 H 0 1 N N N N N N -26.853 6.768 -6.837 -10.487 -0.419 -0.300 H48 9F0 102 9F0 H9 H42 H 0 1 N N N N N N -26.704 -4.271 -1.064 0.172 -2.525 1.557 H9 9F0 103 9F0 H6 H43 H 0 1 N N N N N N -23.746 -5.312 -4.902 3.916 -1.555 -0.982 H6 9F0 104 9F0 H26 H44 H 0 1 N N N N N N -24.802 -8.926 -7.215 7.374 -4.296 -0.752 H26 9F0 105 9F0 H43 H45 H 0 1 N N N N N N -22.919 -11.630 -5.784 8.365 -6.876 2.065 H43 9F0 106 9F0 H9S H46 H 0 1 N N N N N N -22.869 -14.225 -5.040 10.801 -6.014 1.245 H9S 9F0 107 9F0 H57 H47 H 0 1 N N N N N N -22.683 -13.692 -6.746 10.502 -7.024 2.439 H57 9F0 108 9F0 H9R H48 H 0 1 N N N N N N -25.246 -14.637 -5.333 11.457 -8.109 0.507 H9R 9F0 109 9F0 H56 H49 H 0 1 N N N N N N -24.426 -15.382 -6.747 10.083 -8.752 0.974 H56 9F0 110 9F0 H9Q H50 H 0 1 N N N N N N -27.431 -14.045 -6.361 10.503 -9.050 -2.078 H9Q 9F0 111 9F0 H55 H51 H 0 1 N N N N N N -27.106 -14.753 -7.979 9.305 -9.546 -1.161 H55 9F0 112 9F0 H54 H52 H 0 1 N N N N N N -27.116 -12.489 -9.018 8.378 -9.133 -3.225 H54 9F0 113 9F0 H9P H53 H 0 1 N N N N N N -28.642 -12.710 -8.097 9.086 -7.710 -3.321 H9P 9F0 114 9F0 H44 H54 H 0 1 N N N N N N -27.160 -10.539 -7.772 7.101 -7.166 -2.625 H44 9F0 115 9F0 H41 H55 H 0 1 N N N N N N -22.372 -0.347 8.060 0.465 10.795 -1.556 H41 9F0 116 9F0 H42 H56 H 0 1 N N N N N N -26.845 -2.699 8.567 4.393 9.795 1.165 H42 9F0 117 9F0 H9Z H57 H 0 1 N N N N N N -23.699 -12.170 -4.454 8.722 -5.539 1.678 H9Z 9F0 118 9F0 H90 H58 H 0 1 N N N N N N -27.936 -11.189 -6.491 6.904 -8.345 -1.865 H90 9F0 119 9F0 H45 H59 H 0 1 N N N N N N -25.034 -13.463 -8.061 10.474 -7.041 -1.163 H45 9F0 120 9F0 H46 H60 H 0 1 N N N N N N -24.277 8.882 -8.170 -12.356 -3.183 -1.815 H46 9F0 121 9F0 H47 H61 H 0 1 N N N N N N -22.052 6.457 -6.713 -9.288 -5.100 -1.146 H47 9F0 122 9F0 H92 H62 H 0 1 N N N N N N -26.878 5.766 -8.126 -10.830 -0.975 0.957 H92 9F0 123 9F0 H49 H63 H 0 1 N N N N N N -24.306 -2.254 11.070 3.108 11.929 -1.804 H49 9F0 124 # 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 _chem_comp_bond.pdbx_metal_coordination_flag _chem_comp_bond.pdbx_metal_pi_flag 9F0 C59 N46 SING N N 1 N N 9F0 C59 C58 SING N N 2 N N 9F0 C61 N46 SING N N 3 N N 9F0 C61 C60 SING N N 4 N N 9F0 N46 PT1 SING N N 5 Y N 9F0 C58 N48 SING N N 6 N N 9F0 C60 N47 SING N N 7 N N 9F0 C54 C55 SING N N 8 N N 9F0 C54 N44 SING N N 9 N N 9F0 N48 PT1 SING N N 10 Y N 9F0 PT1 N47 SING N N 11 Y N 9F0 PT1 N30 SING N N 12 Y N 9F0 C55 N45 SING N N 13 N N 9F0 N44 PT3 SING N N 14 Y N 9F0 N45 PT3 SING N N 15 Y N 9F0 N45 C56 SING N N 16 N N 9F0 C31 N30 DOUB Y N 17 N N 9F0 C31 C32 SING Y N 18 N N 9F0 N30 C29 SING Y N 19 N N 9F0 C32 C22 DOUB Y N 20 N N 9F0 PT3 N43 SING N N 21 Y N 9F0 PT3 N25 SING N N 22 Y N 9F0 C56 C57 SING N N 23 N N 9F0 C26 C27 DOUB Y N 24 N N 9F0 C26 N25 SING Y N 25 N N 9F0 C57 N43 SING N N 26 N N 9F0 C27 C20 SING Y N 27 N N 9F0 N25 C24 DOUB Y N 28 N N 9F0 C29 C28 DOUB Y N 29 N N 9F0 C22 C28 SING Y N 30 N N 9F0 C22 C12 SING N N 31 N N 9F0 C13 C12 DOUB Y N 32 N N 9F0 C13 C14 SING Y N 33 N N 9F0 C20 C7 SING N N 34 N N 9F0 C20 C23 DOUB Y N 35 N N 9F0 C12 C11 SING Y N 36 N N 9F0 C24 C23 SING Y N 37 N N 9F0 C6 C7 DOUB Y N 38 N N 9F0 C6 C5 SING Y N 39 N N 9F0 C7 C8 SING Y N 40 N N 9F0 C14 C4 DOUB Y N 41 N N 9F0 C5 C3 DOUB Y N 42 N N 9F0 C11 C10 DOUB Y N 43 N N 9F0 C4 C10 SING Y N 44 N N 9F0 C4 N1 SING N N 45 N N 9F0 C8 C9 DOUB Y N 46 N N 9F0 C3 C9 SING Y N 47 N N 9F0 C3 N1 SING N N 48 N N 9F0 N1 C2 SING N N 49 N N 9F0 C2 C19 DOUB Y N 50 N N 9F0 C2 C15 SING Y N 51 N N 9F0 C19 C18 SING Y N 52 N N 9F0 C15 C16 DOUB Y N 53 N N 9F0 C18 C17 DOUB Y N 54 N N 9F0 C16 C17 SING Y N 55 N N 9F0 C17 C21 SING N N 56 N N 9F0 C21 C33 DOUB Y N 57 N N 9F0 C21 C37 SING Y N 58 N N 9F0 C33 C34 SING Y N 59 N N 9F0 C37 C36 DOUB Y N 60 N N 9F0 C34 N35 DOUB Y N 61 N N 9F0 C36 N35 SING Y N 62 N N 9F0 N35 PT2 SING N N 63 Y N 9F0 N41 PT2 SING N N 64 Y N 9F0 N41 C50 SING N N 65 N N 9F0 PT2 N42 SING N N 66 Y N 9F0 PT2 N49 SING N N 67 Y N 9F0 N42 C53 SING N N 68 N N 9F0 C50 C51 SING N N 69 N N 9F0 C53 C52 SING N N 70 N N 9F0 N49 C51 SING N N 71 N N 9F0 N49 C52 SING N N 72 N N 9F0 C5 H5 SING N N 73 N N 9F0 C8 H8 SING N N 74 N N 9F0 C10 H10 SING N N 75 N N 9F0 C14 H14 SING N N 76 N N 9F0 C23 H23 SING N N 77 N N 9F0 C24 H24 SING N N 78 N N 9F0 C27 H27 SING N N 79 N N 9F0 C28 H28 SING N N 80 N N 9F0 C32 H32 SING N N 81 N N 9F0 C34 H34 SING N N 82 N N 9F0 N41 H9X SING N N 83 N N 9F0 C50 H50 SING N N 84 N N 9F0 C50 H9L SING N N 85 N N 9F0 C51 H51 SING N N 86 N N 9F0 C51 H9M SING N N 87 N N 9F0 C52 H9N SING N N 88 N N 9F0 C52 H52 SING N N 89 N N 9F0 C53 H9O SING N N 90 N N 9F0 C53 H53 SING N N 91 N N 9F0 N42 H9Y SING N N 92 N N 9F0 C36 H36 SING N N 93 N N 9F0 C37 H37 SING N N 94 N N 9F0 C33 H33 SING N N 95 N N 9F0 C18 H18 SING N N 96 N N 9F0 C19 H19 SING N N 97 N N 9F0 C16 H16 SING N N 98 N N 9F0 C15 H15 SING N N 99 N N 9F0 C13 H13 SING N N 100 N N 9F0 C11 H11 SING N N 101 N N 9F0 C31 H31 SING N N 102 N N 9F0 C29 H29 SING N N 103 N N 9F0 N47 H91 SING N N 104 N N 9F0 C60 H9V SING N N 105 N N 9F0 C60 H60 SING N N 106 N N 9F0 C61 H9W SING N N 107 N N 9F0 C61 H61 SING N N 108 N N 9F0 C59 H59 SING N N 109 N N 9F0 C59 H9U SING N N 110 N N 9F0 C58 H58 SING N N 111 N N 9F0 C58 H9T SING N N 112 N N 9F0 N48 H48 SING N N 113 N N 9F0 C9 H9 SING N N 114 N N 9F0 C6 H6 SING N N 115 N N 9F0 C26 H26 SING N N 116 N N 9F0 N43 H43 SING N N 117 N N 9F0 C57 H9S SING N N 118 N N 9F0 C57 H57 SING N N 119 N N 9F0 C56 H9R SING N N 120 N N 9F0 C56 H56 SING N N 121 N N 9F0 C55 H9Q SING N N 122 N N 9F0 C55 H55 SING N N 123 N N 9F0 C54 H54 SING N N 124 N N 9F0 C54 H9P SING N N 125 N N 9F0 N44 H44 SING N N 126 N N 9F0 N41 H41 SING N N 127 N N 9F0 N42 H42 SING N N 128 N N 9F0 N43 H9Z SING N N 129 N N 9F0 N44 H90 SING N N 130 N N 9F0 N45 H45 SING N N 131 N N 9F0 N46 H46 SING N N 132 N N 9F0 N47 H47 SING N N 133 N N 9F0 N48 H92 SING N N 134 N N 9F0 N49 H49 SING N N 135 N N # 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 9F0 InChI InChI 1.03 "InChI=1S/C33H24N4.3C4H13N3.3Pt/c1-7-31(8-2-25(1)28-13-19-34-20-14-28)37(32-9-3-26(4-10-32)29-15-21-35-22-16-29)33-11-5-27(6-12-33)30-17-23-36-24-18-30;3*5-1-3-7-4-2-6;;;/h1-24H;3*7H,1-6H2;;;/q;;;;3*+4" 9F0 InChIKey InChI 1.03 HWOQXVGDGHJZJY-UHFFFAOYSA-N 9F0 SMILES_CANONICAL CACTVS 3.385 "NCCNCCN.NCCNCCN.NCCNCCN.[Pt][n+]1ccc(cc1)c2ccc(cc2)N(c3ccc(cc3)c4cc[n+]([Pt])cc4)c5ccc(cc5)c6cc[n+]([Pt])cc6" 9F0 SMILES CACTVS 3.385 "NCCNCCN.NCCNCCN.NCCNCCN.[Pt][n+]1ccc(cc1)c2ccc(cc2)N(c3ccc(cc3)c4cc[n+]([Pt])cc4)c5ccc(cc5)c6cc[n+]([Pt])cc6" 9F0 SMILES_CANONICAL "OpenEye OEToolkits" 2.0.6 "c1cc(ccc1c2cc[n+](cc2)[Pt]34[NH2+]CC[NH+]3CC[NH2+]4)N(c5ccc(cc5)c6cc[n+](cc6)[Pt]78[NH2+]CC[NH+]7CC[NH2+]8)c9ccc(cc9)c1cc[n+](cc1)[Pt]12[NH2+]CC[NH+]1CC[NH2+]2" 9F0 SMILES "OpenEye OEToolkits" 2.0.6 "c1cc(ccc1c2cc[n+](cc2)[Pt]34[NH2+]CC[NH+]3CC[NH2+]4)N(c5ccc(cc5)c6cc[n+](cc6)[Pt]78[NH2+]CC[NH+]7CC[NH2+]8)c9ccc(cc9)c1cc[n+](cc1)[Pt]12[NH2+]CC[NH+]1CC[NH2+]2" # _pdbx_chem_comp_identifier.comp_id 9F0 _pdbx_chem_comp_identifier.type "SYSTEMATIC NAME" _pdbx_chem_comp_identifier.program "OpenEye OEToolkits" _pdbx_chem_comp_identifier.program_version 2.0.6 _pdbx_chem_comp_identifier.identifier "4-[1-(2,5,8-triazonia-1$l^{4}-platinabicyclo[3.3.0]octan-1-yl)pyridin-1-ium-4-yl]-~{N},~{N}-bis[4-[1-(2,5,8-triazonia-1$l^{4}-platinabicyclo[3.3.0]octan-1-yl)pyridin-1-ium-4-yl]phenyl]aniline" # loop_ _pdbx_chem_comp_atom_coordination.geometry_id _pdbx_chem_comp_atom_coordination.comp_id _pdbx_chem_comp_atom_coordination.atom_id _pdbx_chem_comp_atom_coordination.number _pdbx_chem_comp_atom_coordination.geometry_calculated _pdbx_chem_comp_atom_coordination.geometry_generic _pdbx_chem_comp_atom_coordination.geometry_abbr _pdbx_chem_comp_atom_coordination.provenance 1 9F0 PT1 4 "square plane" "square planar" SPL FindGeo 1 9F0 PT1 4 square-planar "square planar" SPL MetalCoord 2 9F0 PT2 4 "square plane" "square planar" SPL FindGeo 2 9F0 PT2 4 square-planar "square planar" SPL MetalCoord 3 9F0 PT3 4 "square plane" "square planar" SPL FindGeo 3 9F0 PT3 4 square-planar "square planar" SPL MetalCoord # loop_ _pdbx_chem_comp_atom_coordination_sphere.id _pdbx_chem_comp_atom_coordination_sphere.geometry_id _pdbx_chem_comp_atom_coordination_sphere.comp_id _pdbx_chem_comp_atom_coordination_sphere.atom_id _pdbx_chem_comp_atom_coordination_sphere.descriptor _pdbx_chem_comp_atom_coordination_sphere.provenance 1 1 9F0 PT1 "@SPL{Pt,N,N,N,N}" MetalCoord 2 2 9F0 PT2 "@SPL{Pt,N,N,N,N}" MetalCoord 3 3 9F0 PT3 "@SPL{Pt,N,N,N,N}" MetalCoord # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site 9F0 "Create component" 2018-03-31 RCSB 9F0 "Initial release" 2018-09-19 RCSB 9F0 "Other modification" 2026-07-17 RCSB 9F0 "Other modification" 2026-07-31 RCSB 9F0 "Other modification" 2026-09-16 RCSB #