data_A1JM3
# 
_chem_comp.id                                    A1JM3 
_chem_comp.name                                  "N-[(2S)-1-[[(3S)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]amino]-1-oxidanylidene-propan-2-yl]-9-[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]nonanamide" 
_chem_comp.type                                  non-polymer 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C35 H43 Cl N8 O5 S" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2025-08-11 
_chem_comp.pdbx_modified_date                    2025-10-24 
_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                        723.285 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     A1JM3 
_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        9SAI 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  PDBE 
_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_n_terminal_atom_flag 
_chem_comp_atom.pdbx_backbone_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 
A1JM3 C4   C1  C  0 1 Y N N N N N 149.062 135.983 180.813 -7.364  -0.376 0.792  C4   A1JM3 1  
A1JM3 C5   C2  C  0 1 N N N N N N 148.276 136.743 179.882 -7.246  0.382  -0.470 C5   A1JM3 2  
A1JM3 C6   C3  C  0 1 Y N N N N N 150.363 135.398 180.609 -6.838  0.095  2.062  C6   A1JM3 3  
A1JM3 C7   C4  C  0 1 N N N N N N 151.090 135.379 179.299 -6.068  1.382  2.205  C7   A1JM3 4  
A1JM3 C8   C5  C  0 1 Y N N N N N 150.871 134.842 181.741 -7.096  -0.709 3.079  C8   A1JM3 5  
A1JM3 N12  N1  N  0 1 N N N N N N 147.952 137.973 180.011 -7.046  -0.124 -1.644 N12  A1JM3 6  
A1JM3 C13  C6  C  0 1 Y N N N N N 147.072 136.792 177.720 -6.653  2.670  -1.260 C13  A1JM3 7  
A1JM3 C15  C7  C  0 1 Y N N N N N 146.694 134.824 176.439 -7.609  4.610  -0.230 C15  A1JM3 8  
A1JM3 C17  C8  C  0 1 N N N N N N 145.434 137.549 170.913 6.663   -0.532 0.158  C17  A1JM3 9  
A1JM3 C20  C9  C  0 1 N N N N N N 147.760 140.551 174.295 1.726   -1.052 -0.407 C20  A1JM3 10 
A1JM3 C21  C10 C  0 1 N N N N N N 147.542 141.482 175.482 0.508   -0.611 -1.222 C21  A1JM3 11 
A1JM3 C22  C11 C  0 1 N N N N N N 147.193 140.793 176.795 -0.743  -1.311 -0.690 C22  A1JM3 12 
A1JM3 C26  C12 C  0 1 N N N N N N 145.985 136.185 170.586 7.896   0.158  -0.366 C26  A1JM3 13 
A1JM3 C28  C13 C  0 1 N N N N N N 147.777 140.711 180.075 -4.358  -1.304 -1.564 C28  A1JM3 14 
A1JM3 C1   C14 C  0 1 Y N N N N N 147.882 134.679 178.500 -8.203  2.433  0.574  C1   A1JM3 15 
A1JM3 C11  C15 C  0 1 Y N N N N N 148.656 135.828 182.111 -7.991  -1.597 0.920  C11  A1JM3 16 
A1JM3 C14  C16 C  0 1 Y N N N N N 146.544 136.181 176.596 -6.776  4.042  -1.179 C14  A1JM3 17 
A1JM3 C18  C17 C  0 1 N N N N N N 145.553 137.947 172.377 5.446   -0.091 -0.657 C18  A1JM3 18 
A1JM3 C19  C18 C  0 1 N N N N N N 146.586 139.636 173.969 2.977   -0.351 -0.940 C19  A1JM3 19 
A1JM3 C2   C19 C  0 1 Y N N N N N 147.357 134.061 177.377 -8.323  3.806  0.642  C2   A1JM3 20 
A1JM3 C23  C20 C  0 1 N N N N N N 147.052 141.734 177.979 -1.961  -0.871 -1.505 C23  A1JM3 21 
A1JM3 C25  C21 C  0 1 N N N N N N 146.728 138.861 172.666 4.194   -0.792 -0.124 C25  A1JM3 22 
A1JM3 C29  C22 C  0 1 N N N N N N 147.352 139.966 181.323 -5.590  -1.994 -1.039 C29  A1JM3 23 
A1JM3 C3   C23 C  0 1 Y N N N N N 147.747 136.051 178.686 -7.370  1.856  -0.384 C3   A1JM3 24 
A1JM3 C32  C24 C  0 1 Y N N N N N 147.046 137.628 182.232 -8.020  -2.327 -1.407 C32  A1JM3 25 
A1JM3 C34  C25 C  0 1 N N S N N N 147.918 138.539 181.373 -6.807  -1.554 -1.854 C34  A1JM3 26 
A1JM3 C35  C26 C  0 1 Y N N N N N 146.418 135.833 183.322 -9.625  -3.117 -0.171 C35  A1JM3 27 
A1JM3 C36  C27 C  0 1 N N N N N N 146.390 134.463 183.895 -10.542 -3.419 0.986  C36  A1JM3 28 
A1JM3 C39  C28 C  0 1 N N S N N N 145.470 133.905 169.907 10.293  0.592  -0.308 C39  A1JM3 29 
A1JM3 C40  C29 C  0 1 N N N N N N 145.586 133.808 168.390 11.510  -0.234 0.022  C40  A1JM3 30 
A1JM3 C41  C30 C  0 1 N N N N N N 144.461 132.878 170.403 10.421  1.970  0.343  C41  A1JM3 31 
A1JM3 C44  C31 C  0 1 N N S N N N 146.713 132.780 166.501 13.916  -0.614 -0.032 C44  A1JM3 32 
A1JM3 C45  C32 C  0 1 N N N N N N 145.929 131.605 165.930 14.461  -0.239 1.329  C45  A1JM3 33 
A1JM3 C47  C33 C  0 1 N N N N N N 148.033 131.239 165.283 16.155  0.250  -0.078 C47  A1JM3 34 
A1JM3 C48  C34 C  0 1 N N N N N N 148.158 132.486 166.100 15.075  -0.281 -0.994 C48  A1JM3 35 
A1JM3 C9   C35 C  0 1 N N N N N N 152.202 134.187 181.955 -6.672  -0.452 4.503  C9   A1JM3 36 
A1JM3 N24  N2  N  0 1 N N N N N N 146.803 141.023 179.226 -3.159  -1.541 -0.995 N24  A1JM3 37 
A1JM3 N27  N3  N  0 1 N N N N N N 145.077 135.244 170.311 9.095   -0.079 0.202  N27  A1JM3 38 
A1JM3 N31  N4  N  0 1 Y N N N N N 147.449 136.350 182.569 -8.533  -2.315 -0.149 N31  A1JM3 39 
A1JM3 N33  N5  N  0 1 Y N N N N N 145.860 137.867 182.744 -8.775  -3.112 -2.121 N33  A1JM3 40 
A1JM3 N37  N6  N  0 1 Y N N N N N 145.467 136.726 183.434 -9.728  -3.580 -1.391 N37  A1JM3 41 
A1JM3 N42  N7  N  0 1 N N N N N N 146.484 132.938 167.925 12.733  0.189  -0.352 N42  A1JM3 42 
A1JM3 N46  N8  N  0 1 N N N N N N 146.747 130.825 165.188 15.708  0.228  1.190  N46  A1JM3 43 
A1JM3 O30  O1  O  0 1 N N N N N N 148.949 140.997 179.868 -4.444  -0.535 -2.498 O30  A1JM3 44 
A1JM3 O38  O2  O  0 1 N N N N N N 147.191 135.967 170.571 7.809   0.927  -1.301 O38  A1JM3 45 
A1JM3 O43  O3  O  0 1 N N N N N N 144.880 134.493 167.660 11.388  -1.280 0.623  O43  A1JM3 46 
A1JM3 O49  O4  O  0 1 N N N N N N 148.988 130.665 164.758 17.251  0.631  -0.430 O49  A1JM3 47 
A1JM3 O50  O5  O  0 1 N N N N N N 144.735 131.426 166.134 13.864  -0.346 2.378  O50  A1JM3 48 
A1JM3 S10  S1  S  0 1 Y N N N N N 149.798 134.999 183.087 -8.000  -2.112 2.546  S10  A1JM3 49 
A1JM3 CL16 CL1 CL 0 0 N N N N N N 146.036 134.054 175.020 -7.759  6.337  -0.134 CL16 A1JM3 50 
A1JM3 H2   H2  H  0 1 N N N N N N 151.718 136.278 179.214 -6.747  2.180  2.508  H2   A1JM3 51 
A1JM3 H3   H3  H  0 1 N N N N N N 151.725 134.482 179.245 -5.293  1.259  2.961  H3   A1JM3 52 
A1JM3 H4   H4  H  0 1 N N N N N N 150.361 135.362 178.475 -5.608  1.639  1.251  H4   A1JM3 53 
A1JM3 H7   H7  H  0 1 N N N N N N 146.959 137.858 177.849 -6.007  2.228  -2.004 H7   A1JM3 54 
A1JM3 H8   H8  H  0 1 N N N N N N 145.977 138.292 170.310 6.787   -1.612 0.072  H8   A1JM3 55 
A1JM3 H9   H9  H  0 1 N N N N N N 144.369 137.563 170.639 6.515   -0.266 1.205  H9   A1JM3 56 
A1JM3 H10  H10 H  0 1 N N N N N N 148.634 139.920 174.513 1.578   -0.785 0.640  H10  A1JM3 57 
A1JM3 H11  H11 H  0 1 N N N N N N 147.966 141.170 173.409 1.849   -2.131 -0.493 H11  A1JM3 58 
A1JM3 H12  H12 H  0 1 N N N N N N 148.466 142.058 175.636 0.385   0.469  -1.136 H12  A1JM3 59 
A1JM3 H13  H13 H  0 1 N N N N N N 146.720 142.168 175.229 0.656   -0.877 -2.269 H13  A1JM3 60 
A1JM3 H14  H14 H  0 1 N N N N N N 146.239 140.262 176.662 -0.620  -2.391 -0.776 H14  A1JM3 61 
A1JM3 H15  H15 H  0 1 N N N N N N 147.987 140.068 177.025 -0.891  -1.045 0.357  H15  A1JM3 62 
A1JM3 H16  H16 H  0 1 N N N N N N 148.402 134.089 179.240 -8.760  1.807  1.255  H16  A1JM3 63 
A1JM3 H17  H17 H  0 1 N N N N N N 146.021 136.763 175.852 -6.221  4.674  -1.857 H17  A1JM3 64 
A1JM3 H18  H18 H  0 1 N N N N N N 144.629 138.465 172.672 5.323   0.988  -0.571 H18  A1JM3 65 
A1JM3 H19  H19 H  0 1 N N N N N N 145.668 137.033 172.977 5.594   -0.358 -1.704 H19  A1JM3 66 
A1JM3 H20  H20 H  0 1 N N N N N N 145.678 140.253 173.904 3.125   -0.617 -1.986 H20  A1JM3 67 
A1JM3 H21  H21 H  0 1 N N N N N N 146.478 138.911 174.789 2.854   0.729  -0.854 H21  A1JM3 68 
A1JM3 H22  H22 H  0 1 N N N N N N 147.465 132.996 177.238 -8.970  4.254  1.381  H22  A1JM3 69 
A1JM3 H23  H23 H  0 1 N N N N N N 147.981 142.314 178.082 -2.084  0.209  -1.419 H23  A1JM3 70 
A1JM3 H24  H24 H  0 1 N N N N N N 146.212 142.418 177.789 -1.813  -1.137 -2.552 H24  A1JM3 71 
A1JM3 H25  H25 H  0 1 N N N N N N 147.640 138.249 172.722 4.318   -1.871 -0.211 H25  A1JM3 72 
A1JM3 H26  H26 H  0 1 N N N N N N 146.820 139.582 171.840 4.047   -0.526 0.922  H26  A1JM3 73 
A1JM3 H27  H27 H  0 1 N N N N N N 147.710 140.519 182.204 -5.467  -3.074 -1.125 H27  A1JM3 74 
A1JM3 H28  H28 H  0 1 N N N N N N 146.254 139.912 181.345 -5.738  -1.728 0.007  H28  A1JM3 75 
A1JM3 H29  H29 H  0 1 N N N N N N 148.935 138.569 181.792 -6.624  -1.741 -2.912 H29  A1JM3 76 
A1JM3 H30  H30 H  0 1 N N N N N N 145.443 134.309 184.432 -10.177 -4.296 1.520  H30  A1JM3 77 
A1JM3 H31  H31 H  0 1 N N N N N N 146.476 133.725 183.084 -10.566 -2.565 1.663  H31  A1JM3 78 
A1JM3 H32  H32 H  0 1 N N N N N N 147.231 134.340 184.593 -11.547 -3.614 0.611  H32  A1JM3 79 
A1JM3 H33  H33 H  0 1 N N N N N N 146.451 133.667 170.345 10.213  0.706  -1.389 H33  A1JM3 80 
A1JM3 H34  H34 H  0 1 N N N N N N 144.376 132.946 171.498 10.501  1.856  1.424  H34  A1JM3 81 
A1JM3 H35  H35 H  0 1 N N N N N N 143.481 133.077 169.946 11.313  2.470  -0.037 H35  A1JM3 82 
A1JM3 H36  H36 H  0 1 N N N N N N 144.798 131.869 170.124 9.541   2.568  0.105  H36  A1JM3 83 
A1JM3 H37  H37 H  0 1 N N N N N N 146.392 133.694 165.980 13.678  -1.677 -0.071 H37  A1JM3 84 
A1JM3 H38  H38 H  0 1 N N N N N N 148.788 132.317 166.986 15.416  -1.178 -1.510 H38  A1JM3 85 
A1JM3 H39  H39 H  0 1 N N N N N N 148.578 133.309 165.503 14.770  0.483  -1.710 H39  A1JM3 86 
A1JM3 H40  H40 H  0 1 N N N N N N 152.298 133.886 183.009 -7.450  0.111  5.018  H40  A1JM3 87 
A1JM3 H41  H41 H  0 1 N N N N N N 152.281 133.298 181.311 -6.514  -1.403 5.011  H41  A1JM3 88 
A1JM3 H42  H42 H  0 1 N N N N N N 153.004 134.896 181.702 -5.745  0.121  4.508  H42  A1JM3 89 
A1JM3 H43  H43 H  0 1 N N N N N N 145.865 140.760 179.451 -3.090  -2.156 -0.248 H43  A1JM3 90 
A1JM3 H44  H44 H  0 1 N N N N N N 144.105 135.467 170.385 9.164   -0.694 0.949  H44  A1JM3 91 
A1JM3 H45  H45 H  0 1 N N N N N N 147.010 132.384 168.570 12.831  1.026  -0.834 H45  A1JM3 92 
A1JM3 H46  H46 H  0 1 N N N N N N 146.443 130.045 164.641 16.244  0.527  1.941  H46  A1JM3 93 
# 
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 
A1JM3 O49  C47 DOUB N N 1  
A1JM3 N46  C47 SING N N 2  
A1JM3 N46  C45 SING N N 3  
A1JM3 C47  C48 SING N N 4  
A1JM3 C45  O50 DOUB N N 5  
A1JM3 C45  C44 SING N N 6  
A1JM3 C48  C44 SING N N 7  
A1JM3 C44  N42 SING N N 8  
A1JM3 O43  C40 DOUB N N 9  
A1JM3 N42  C40 SING N N 10 
A1JM3 C40  C39 SING N N 11 
A1JM3 C39  N27 SING N N 12 
A1JM3 C39  C41 SING N N 13 
A1JM3 N27  C26 SING N N 14 
A1JM3 O38  C26 DOUB N N 15 
A1JM3 C26  C17 SING N N 16 
A1JM3 C17  C18 SING N N 17 
A1JM3 C18  C25 SING N N 18 
A1JM3 C25  C19 SING N N 19 
A1JM3 C19  C20 SING N N 20 
A1JM3 C20  C21 SING N N 21 
A1JM3 CL16 C15 SING N N 22 
A1JM3 C21  C22 SING N N 23 
A1JM3 C15  C14 DOUB Y N 24 
A1JM3 C15  C2  SING Y N 25 
A1JM3 C14  C13 SING Y N 26 
A1JM3 C22  C23 SING N N 27 
A1JM3 C2   C1  DOUB Y N 28 
A1JM3 C13  C3  DOUB Y N 29 
A1JM3 C23  N24 SING N N 30 
A1JM3 C1   C3  SING Y N 31 
A1JM3 C3   C5  SING N N 32 
A1JM3 N24  C28 SING N N 33 
A1JM3 C7   C6  SING N N 34 
A1JM3 O30  C28 DOUB N N 35 
A1JM3 C5   N12 DOUB N N 36 
A1JM3 C5   C4  SING N N 37 
A1JM3 N12  C34 SING N N 38 
A1JM3 C28  C29 SING N N 39 
A1JM3 C6   C4  SING Y N 40 
A1JM3 C6   C8  DOUB Y N 41 
A1JM3 C4   C11 DOUB Y N 42 
A1JM3 C29  C34 SING N N 43 
A1JM3 C34  C32 SING N N 44 
A1JM3 C8   C9  SING N N 45 
A1JM3 C8   S10 SING Y N 46 
A1JM3 C11  N31 SING N N 47 
A1JM3 C11  S10 SING Y N 48 
A1JM3 C32  N31 SING Y N 49 
A1JM3 C32  N33 DOUB Y N 50 
A1JM3 N31  C35 SING Y N 51 
A1JM3 N33  N37 SING Y N 52 
A1JM3 C35  N37 DOUB Y N 53 
A1JM3 C35  C36 SING N N 54 
A1JM3 C7   H2  SING N N 55 
A1JM3 C7   H3  SING N N 56 
A1JM3 C7   H4  SING N N 57 
A1JM3 C13  H7  SING N N 58 
A1JM3 C17  H8  SING N N 59 
A1JM3 C17  H9  SING N N 60 
A1JM3 C20  H10 SING N N 61 
A1JM3 C20  H11 SING N N 62 
A1JM3 C21  H12 SING N N 63 
A1JM3 C21  H13 SING N N 64 
A1JM3 C22  H14 SING N N 65 
A1JM3 C22  H15 SING N N 66 
A1JM3 C1   H16 SING N N 67 
A1JM3 C14  H17 SING N N 68 
A1JM3 C18  H18 SING N N 69 
A1JM3 C18  H19 SING N N 70 
A1JM3 C19  H20 SING N N 71 
A1JM3 C19  H21 SING N N 72 
A1JM3 C2   H22 SING N N 73 
A1JM3 C23  H23 SING N N 74 
A1JM3 C23  H24 SING N N 75 
A1JM3 C25  H25 SING N N 76 
A1JM3 C25  H26 SING N N 77 
A1JM3 C29  H27 SING N N 78 
A1JM3 C29  H28 SING N N 79 
A1JM3 C34  H29 SING N N 80 
A1JM3 C36  H30 SING N N 81 
A1JM3 C36  H31 SING N N 82 
A1JM3 C36  H32 SING N N 83 
A1JM3 C39  H33 SING N N 84 
A1JM3 C41  H34 SING N N 85 
A1JM3 C41  H35 SING N N 86 
A1JM3 C41  H36 SING N N 87 
A1JM3 C44  H37 SING N N 88 
A1JM3 C48  H38 SING N N 89 
A1JM3 C48  H39 SING N N 90 
A1JM3 C9   H40 SING N N 91 
A1JM3 C9   H41 SING N N 92 
A1JM3 C9   H42 SING N N 93 
A1JM3 N24  H43 SING N N 94 
A1JM3 N27  H44 SING N N 95 
A1JM3 N42  H45 SING N N 96 
A1JM3 N46  H46 SING N N 97 
# 
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 
A1JM3 InChI            InChI                1.06  "InChI=1S/C35H43ClN8O5S/c1-19-21(3)50-35-30(19)31(23-12-14-24(36)15-13-23)39-25(32-43-42-22(4)44(32)35)17-28(46)37-16-10-8-6-5-7-9-11-27(45)38-20(2)33(48)40-26-18-29(47)41-34(26)49/h12-15,20,25-26H,5-11,16-18H2,1-4H3,(H,37,46)(H,38,45)(H,40,48)(H,41,47,49)/t20-,25-,26-/m0/s1" 
A1JM3 InChIKey         InChI                1.06  FNQIHJLUXRFLHT-XZZVZQAVSA-N                                                                                                                                                                                                                                                          
A1JM3 SMILES_CANONICAL CACTVS               3.385 "C[C@H](NC(=O)CCCCCCCCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c3c(C)c(C)sc3n4c(C)nnc14)C(=O)N[C@H]5CC(=O)NC5=O"                                                                                                                                                                               
A1JM3 SMILES           CACTVS               3.385 "C[CH](NC(=O)CCCCCCCCNC(=O)C[CH]1N=C(c2ccc(Cl)cc2)c3c(C)c(C)sc3n4c(C)nnc14)C(=O)N[CH]5CC(=O)NC5=O"                                                                                                                                                                                   
A1JM3 SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "Cc1c(sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)NCCCCCCCCC(=O)N[C@@H](C)C(=O)N[C@H]4CC(=O)NC4=O)c5ccc(cc5)Cl)C"                                                                                                                                                                              
A1JM3 SMILES           "OpenEye OEToolkits" 2.0.7 "Cc1c(sc-2c1C(=NC(c3n2c(nn3)C)CC(=O)NCCCCCCCCC(=O)NC(C)C(=O)NC4CC(=O)NC4=O)c5ccc(cc5)Cl)C"                                                                                                                                                                                           
# 
_pdbx_chem_comp_identifier.comp_id           A1JM3 
_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~{S})-1-[[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]amino]-1-oxidanylidene-propan-2-yl]-9-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]nonanamide" 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
A1JM3 "Create component" 2025-08-11 PDBE 
A1JM3 "Initial release"  2025-10-29 RCSB 
# 
