data_A1AHR
# 
_chem_comp.id                                    A1AHR 
_chem_comp.name                                  "(1r,4S)-4-(aminomethyl)-N-[(24S)-5-methyl-8,11,16,23-tetraoxo-7,10,15,22-tetraazatetracyclo[24.2.2.2~18,21~.1~2,6~]tritriaconta-1(28),2(33),3,5,18,20,26,29,31-nonaen-24-yl]cyclohexane-1-carboxamide" 
_chem_comp.type                                  non-polymer 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C38 H46 N6 O5" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2024-03-11 
_chem_comp.pdbx_modified_date                    2024-10-25 
_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                        666.809 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     A1AHR 
_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        9AZK 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  RCSB 
_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 
A1AHR O31  O1  O 0 1 N N N N N N 14.529 -10.719 28.166 3.758  4.871  -1.209 O31  A1AHR 1  
A1AHR C11  C1  C 0 1 N N S N N N 14.375 -10.172 25.908 2.069  3.259  -1.078 C11  A1AHR 2  
A1AHR C12  C2  C 0 1 N N N N N N 14.719 -9.897  27.352 3.503  3.694  -1.067 C12  A1AHR 3  
A1AHR C14  C3  C 0 1 Y N N N N N 15.844 -7.682  28.673 4.284  1.460  -1.199 C14  A1AHR 4  
A1AHR C15  C4  C 0 1 Y N N N N N 16.876 -6.803  28.408 3.266  1.092  -2.065 C15  A1AHR 5  
A1AHR C16  C5  C 0 1 Y N N N N N 17.216 -5.847  29.364 3.085  -0.249 -2.355 C16  A1AHR 6  
A1AHR C17  C6  C 0 1 Y N N N N N 16.511 -5.779  30.557 3.901  -1.214 -1.795 C17  A1AHR 7  
A1AHR C02  C7  C 0 1 N N N N N N 16.553 -17.936 25.162 0.776  -2.545 4.301  C02  A1AHR 8  
A1AHR C03  C8  C 0 1 N N N N N N 16.753 -16.453 25.451 0.998  -1.197 3.613  C03  A1AHR 9  
A1AHR C04  C9  C 0 1 N N N N N N 16.656 -15.694 24.128 2.493  -0.873 3.596  C04  A1AHR 10 
A1AHR C05  C10 C 0 1 N N N N N N 16.701 -14.193 24.357 2.714  0.476  2.907  C05  A1AHR 11 
A1AHR C06  C11 C 0 1 N N N N N N 15.626 -13.778 25.356 2.190  0.408  1.472  C06  A1AHR 12 
A1AHR C07  C12 C 0 1 N N N N N N 15.800 -14.511 26.682 0.695  0.083  1.489  C07  A1AHR 13 
A1AHR C08  C13 C 0 1 N N N N N N 15.692 -16.006 26.447 0.474  -1.265 2.178  C08  A1AHR 14 
A1AHR C09  C14 C 0 1 N N N N N N 15.688 -12.268 25.614 2.408  1.736  0.794  C09  A1AHR 15 
A1AHR C18  C15 C 0 1 Y N N N N N 15.479 -6.649  30.796 4.906  -0.845 -0.917 C18  A1AHR 16 
A1AHR C19  C16 C 0 1 Y N N N N N 15.140 -7.587  29.859 5.102  0.493  -0.633 C19  A1AHR 17 
A1AHR C20  C17 C 0 1 N N N N N N 16.817 -4.758  31.643 3.715  -2.665 -2.154 C20  A1AHR 18 
A1AHR C21  C18 C 0 1 N N N N N N 16.609 -3.337  31.143 3.560  -3.479 -0.896 C21  A1AHR 19 
A1AHR C23  C19 C 0 1 N N N N N N 17.998 -1.220  30.458 1.464  -4.228 -1.826 C23  A1AHR 20 
A1AHR C24  C20 C 0 1 N N N N N N 16.760 -0.368  30.363 0.138  -4.823 -1.353 C24  A1AHR 21 
A1AHR C25  C21 C 0 1 N N N N N N 16.206 0.027   31.717 -1.008 -4.216 -2.165 C25  A1AHR 22 
A1AHR C26  C22 C 0 1 N N N N N N 14.750 0.265   31.434 -2.176 -3.906 -1.267 C26  A1AHR 23 
A1AHR C28  C23 C 0 1 N N N N N N 12.404 -0.497  31.556 -4.444 -3.217 -0.897 C28  A1AHR 24 
A1AHR C32  C24 C 0 1 N N N N N N 12.961 -9.668  25.678 1.241  4.274  -0.283 C32  A1AHR 25 
A1AHR C33  C25 C 0 1 Y N N N N N 12.966 -8.172  25.913 -0.185 3.808  -0.186 C33  A1AHR 26 
A1AHR C34  C26 C 0 1 Y N N N N N 12.310 -7.638  26.995 -1.110 4.205  -1.137 C34  A1AHR 27 
A1AHR C35  C27 C 0 1 Y N N N N N 12.340 -6.275  27.212 -2.413 3.754  -1.059 C35  A1AHR 28 
A1AHR C36  C28 C 0 1 Y N N N N N 13.020 -5.452  26.337 -2.797 2.898  -0.041 C36  A1AHR 29 
A1AHR C37  C29 C 0 1 Y N N N N N 13.695 -6.003  25.265 -1.872 2.536  0.949  C37  A1AHR 30 
A1AHR C38  C30 C 0 1 Y N N N N N 13.663 -7.362  25.052 -0.576 2.998  0.866  C38  A1AHR 31 
A1AHR C39  C31 C 0 1 Y N N N N N 13.098 -3.956  26.559 -4.151 2.312  0.030  C39  A1AHR 32 
A1AHR C40  C32 C 0 1 Y N N N N N 13.177 -3.489  27.849 -4.238 0.919  -0.108 C40  A1AHR 33 
A1AHR C41  C33 C 0 1 Y N N N N N 13.273 -2.145  28.099 -5.482 0.311  -0.097 C41  A1AHR 34 
A1AHR C43  C34 C 0 1 N N N N N N 12.302 -0.907  30.087 -4.409 -1.748 -0.571 C43  A1AHR 35 
A1AHR C45  C35 C 0 1 Y N N N N N 13.316 -1.252  27.051 -6.627 1.071  0.084  C45  A1AHR 36 
A1AHR C46  C36 C 0 1 N N N N N N 13.436 0.236   27.307 -7.976 0.400  0.118  C46  A1AHR 37 
A1AHR C47  C37 C 0 1 Y N N N N N 13.258 -1.716  25.753 -6.536 2.444  0.234  C47  A1AHR 38 
A1AHR C48  C38 C 0 1 Y N N N N N 13.156 -3.068  25.505 -5.299 3.061  0.195  C48  A1AHR 39 
A1AHR N01  N1  N 0 1 N N N N N N 17.774 -18.613 25.489 1.164  -2.444 5.715  N01  A1AHR 40 
A1AHR N10  N2  N 0 1 N N N N N N 14.422 -11.584 25.680 1.952  1.936  -0.458 N10  A1AHR 41 
A1AHR N13  N3  N 0 1 N N N N N N 15.376 -8.690  27.761 4.528  2.818  -0.905 N13  A1AHR 42 
A1AHR N22  N4  N 0 1 N N N N N N 17.832 -2.579  30.935 2.447  -4.246 -0.729 N22  A1AHR 43 
A1AHR N27  N5  N 0 1 N N N N N N 13.786 -0.694  31.899 -3.357 -3.511 -1.829 N27  A1AHR 44 
A1AHR N42  N6  N 0 1 N N N N N N 13.339 -1.731  29.477 -5.549 -1.073 -0.306 N42  A1AHR 45 
A1AHR O29  O2  O 0 1 N N N N N N 14.433 1.201   30.801 -2.069 -4.005 -0.063 O29  A1AHR 46 
A1AHR O30  O3  O 0 1 N N N N N N 15.514 -2.947  30.946 4.419  -3.453 -0.040 O30  A1AHR 47 
A1AHR O44  O4  O 0 1 N N N N N N 11.383 -0.543  29.447 -3.346 -1.164 -0.544 O44  A1AHR 48 
A1AHR O49  O5  O 0 1 N N N N N N 16.703 -11.687 25.743 2.994  2.624  1.375  O49  A1AHR 49 
A1AHR H111 H1  H 0 0 N N N N N N 15.074 -9.640  25.247 1.708  3.215  -2.105 H111 A1AHR 50 
A1AHR H151 H2  H 0 0 N N N N N N 17.413 -6.856  27.472 2.625  1.840  -2.506 H151 A1AHR 51 
A1AHR H161 H3  H 0 0 N N N N N N 18.028 -5.160  29.176 2.294  -0.545 -3.029 H161 A1AHR 52 
A1AHR H022 H4  H 0 0 N N N N N N 16.317 -18.082 24.097 -0.276 -2.820 4.233  H022 A1AHR 53 
A1AHR H021 H5  H 0 0 N N N N N N 15.730 -18.330 25.777 1.383  -3.307 3.812  H021 A1AHR 54 
A1AHR H031 H6  H 0 0 N N N N N N 17.751 -16.298 25.887 0.464  -0.419 4.159  H031 A1AHR 55 
A1AHR H041 H7  H 0 0 N N N N N N 17.499 -15.985 23.484 2.866  -0.825 4.618  H041 A1AHR 56 
A1AHR H042 H8  H 0 0 N N N N N N 15.709 -15.954 23.633 3.027  -1.651 3.050  H042 A1AHR 57 
A1AHR H051 H9  H 0 0 N N N N N N 17.690 -13.916 24.751 2.181  1.254  3.453  H051 A1AHR 58 
A1AHR H052 H10 H 0 0 N N N N N N 16.529 -13.675 23.402 3.780  0.706  2.895  H052 A1AHR 59 
A1AHR H061 H11 H 0 0 N N N N N N 14.639 -14.026 24.939 2.724  -0.371 0.926  H061 A1AHR 60 
A1AHR H071 H12 H 0 0 N N N N N N 15.015 -14.192 27.384 0.161  0.862  2.035  H071 A1AHR 61 
A1AHR H072 H13 H 0 0 N N N N N N 16.788 -14.276 27.105 0.322  0.035  0.467  H072 A1AHR 62 
A1AHR H081 H14 H 0 0 N N N N N N 15.840 -16.536 27.399 1.008  -2.043 1.632  H081 A1AHR 63 
A1AHR H082 H15 H 0 0 N N N N N N 14.695 -16.241 26.047 -0.591 -1.496 2.190  H082 A1AHR 64 
A1AHR H181 H16 H 0 0 N N N N N N 14.932 -6.594  31.726 5.531  -1.597 -0.458 H181 A1AHR 65 
A1AHR H191 H17 H 0 0 N N N N N N 14.316 -8.259  30.048 5.899  0.787  0.034  H191 A1AHR 66 
A1AHR H202 H18 H 0 0 N N N N N N 16.151 -4.937  32.500 2.823  -2.776 -2.770 H202 A1AHR 67 
A1AHR H201 H19 H 0 0 N N N N N N 17.864 -4.876  31.961 4.585  -3.016 -2.709 H201 A1AHR 68 
A1AHR H232 H20 H 0 0 N N N N N N 18.697 -0.713  31.140 1.845  -4.813 -2.663 H232 A1AHR 69 
A1AHR H231 H21 H 0 0 N N N N N N 18.441 -1.274  29.452 1.302  -3.199 -2.149 H231 A1AHR 70 
A1AHR H241 H22 H 0 0 N N N N N N 17.007 0.547   29.805 0.153  -5.904 -1.497 H241 A1AHR 71 
A1AHR H242 H23 H 0 0 N N N N N N 15.988 -0.932  29.819 -0.005 -4.598 -0.297 H242 A1AHR 72 
A1AHR H252 H24 H 0 0 N N N N N N 16.339 -0.783  32.449 -0.665 -3.298 -2.643 H252 A1AHR 73 
A1AHR H251 H25 H 0 0 N N N N N N 16.690 0.941   32.090 -1.323 -4.925 -2.931 H251 A1AHR 74 
A1AHR H282 H26 H 0 0 N N N N N N 11.756 -1.130  32.180 -4.313 -3.801 0.014  H282 A1AHR 75 
A1AHR H281 H27 H 0 0 N N N N N N 12.120 0.558   31.684 -5.400 -3.466 -1.360 H281 A1AHR 76 
A1AHR H321 H28 H 0 0 N N N N N N 12.648 -9.885  24.646 1.657  4.377  0.719  H321 A1AHR 77 
A1AHR H322 H29 H 0 0 N N N N N N 12.270 -10.156 26.381 1.270  5.240  -0.788 H322 A1AHR 78 
A1AHR H341 H30 H 0 0 N N N N N N 11.772 -8.283  27.674 -0.813 4.867  -1.938 H341 A1AHR 79 
A1AHR H351 H31 H 0 0 N N N N N N 11.832 -5.853  28.066 -3.136 4.071  -1.796 H351 A1AHR 80 
A1AHR H371 H32 H 0 0 N N N N N N 14.249 -5.365  24.592 -2.172 1.901  1.769  H371 A1AHR 81 
A1AHR H381 H33 H 0 0 N N N N N N 14.185 -7.790  24.209 0.140  2.726  1.627  H381 A1AHR 82 
A1AHR H401 H34 H 0 0 N N N N N N 13.163 -4.187  28.673 -3.342 0.326  -0.223 H401 A1AHR 83 
A1AHR H462 H35 H 0 0 N N N N N N 14.499 0.517   27.348 -8.218 0.122  1.144  H462 A1AHR 84 
A1AHR H461 H36 H 0 0 N N N N N N 12.942 0.789   26.494 -8.733 1.087  -0.260 H461 A1AHR 85 
A1AHR H463 H37 H 0 0 N N N N N N 12.954 0.483   28.265 -7.953 -0.494 -0.505 H463 A1AHR 86 
A1AHR H471 H38 H 0 0 N N N N N N 13.293 -1.018  24.929 -7.429 3.033  0.379  H471 A1AHR 87 
A1AHR H481 H39 H 0 0 N N N N N N 13.122 -3.431  24.488 -5.230 4.134  0.296  H481 A1AHR 88 
A1AHR H011 H40 H 0 0 N N N N N N 17.672 -19.591 25.309 0.661  -1.700 6.175  H011 A1AHR 89 
A1AHR H012 H41 H 0 0 N N N N N N 18.518 -18.247 24.930 1.028  -3.322 6.192  H012 A1AHR 90 
A1AHR H101 H43 H 0 0 N N N N N N 13.572 -12.098 25.566 1.546  1.205  -0.949 H101 A1AHR 91 
A1AHR H131 H44 H 0 0 N N N N N N 15.708 -8.338  26.886 5.398  3.116  -0.598 H131 A1AHR 92 
A1AHR H221 H45 H 0 0 N N N N N N 18.679 -3.064  31.152 2.308  -4.777 0.070  H221 A1AHR 93 
A1AHR H271 H46 H 0 0 N N N N N N 14.070 -1.480  32.448 -3.466 -3.433 -2.790 H271 A1AHR 94 
A1AHR H421 H47 H 0 0 N N N N N N 14.120 -2.017  30.032 -6.399 -1.538 -0.262 H421 A1AHR 95 
# 
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 
A1AHR C02 N01  SING N N 1  
A1AHR C03 C02  SING N N 2  
A1AHR C04 C03  SING N N 3  
A1AHR C05 C04  SING N N 4  
A1AHR C06 C05  SING N N 5  
A1AHR C08 C07  SING N N 6  
A1AHR C07 C06  SING N N 7  
A1AHR C09 C06  SING N N 8  
A1AHR C11 N10  SING N N 9  
A1AHR C14 N13  SING N N 10 
A1AHR C15 C14  DOUB Y N 11 
A1AHR C16 C15  SING Y N 12 
A1AHR C17 C16  DOUB Y N 13 
A1AHR C19 C18  DOUB Y N 14 
A1AHR C18 C17  SING Y N 15 
A1AHR C20 C17  SING N N 16 
A1AHR C21 C20  SING N N 17 
A1AHR C23 N22  SING N N 18 
A1AHR C24 C23  SING N N 19 
A1AHR C25 C24  SING N N 20 
A1AHR C26 C25  SING N N 21 
A1AHR C28 N27  SING N N 22 
A1AHR N27 C26  SING N N 23 
A1AHR O29 C26  DOUB N N 24 
A1AHR N22 C21  SING N N 25 
A1AHR O30 C21  DOUB N N 26 
A1AHR N13 C12  SING N N 27 
A1AHR O31 C12  DOUB N N 28 
A1AHR C12 C11  SING N N 29 
A1AHR C32 C11  SING N N 30 
A1AHR C33 C32  SING N N 31 
A1AHR C34 C33  DOUB Y N 32 
A1AHR C35 C34  SING Y N 33 
A1AHR C36 C35  DOUB Y N 34 
A1AHR C38 C37  DOUB Y N 35 
A1AHR C37 C36  SING Y N 36 
A1AHR C39 C36  SING N N 37 
A1AHR C40 C39  DOUB Y N 38 
A1AHR C41 C40  SING Y N 39 
A1AHR C43 N42  SING N N 40 
A1AHR O44 C43  DOUB N N 41 
A1AHR N42 C41  SING N N 42 
A1AHR C45 C41  DOUB Y N 43 
A1AHR C46 C45  SING N N 44 
A1AHR C47 C45  SING Y N 45 
A1AHR C48 C47  DOUB Y N 46 
A1AHR N10 C09  SING N N 47 
A1AHR O49 C09  DOUB N N 48 
A1AHR C03 C08  SING N N 49 
A1AHR C14 C19  SING Y N 50 
A1AHR C28 C43  SING N N 51 
A1AHR C33 C38  SING Y N 52 
A1AHR C39 C48  SING Y N 53 
A1AHR C11 H111 SING N N 54 
A1AHR C15 H151 SING N N 55 
A1AHR C16 H161 SING N N 56 
A1AHR C02 H022 SING N N 57 
A1AHR C02 H021 SING N N 58 
A1AHR C03 H031 SING N N 59 
A1AHR C04 H041 SING N N 60 
A1AHR C04 H042 SING N N 61 
A1AHR C05 H051 SING N N 62 
A1AHR C05 H052 SING N N 63 
A1AHR C06 H061 SING N N 64 
A1AHR C07 H071 SING N N 65 
A1AHR C07 H072 SING N N 66 
A1AHR C08 H081 SING N N 67 
A1AHR C08 H082 SING N N 68 
A1AHR C18 H181 SING N N 69 
A1AHR C19 H191 SING N N 70 
A1AHR C20 H202 SING N N 71 
A1AHR C20 H201 SING N N 72 
A1AHR C23 H232 SING N N 73 
A1AHR C23 H231 SING N N 74 
A1AHR C24 H241 SING N N 75 
A1AHR C24 H242 SING N N 76 
A1AHR C25 H252 SING N N 77 
A1AHR C25 H251 SING N N 78 
A1AHR C28 H282 SING N N 79 
A1AHR C28 H281 SING N N 80 
A1AHR C32 H321 SING N N 81 
A1AHR C32 H322 SING N N 82 
A1AHR C34 H341 SING N N 83 
A1AHR C35 H351 SING N N 84 
A1AHR C37 H371 SING N N 85 
A1AHR C38 H381 SING N N 86 
A1AHR C40 H401 SING N N 87 
A1AHR C46 H462 SING N N 88 
A1AHR C46 H461 SING N N 89 
A1AHR C46 H463 SING N N 90 
A1AHR C47 H471 SING N N 91 
A1AHR C48 H481 SING N N 92 
A1AHR N01 H011 SING N N 93 
A1AHR N01 H012 SING N N 94 
A1AHR N10 H101 SING N N 95 
A1AHR N13 H131 SING N N 96 
A1AHR N22 H221 SING N N 97 
A1AHR N27 H271 SING N N 98 
A1AHR N42 H421 SING N N 99 
# 
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 
A1AHR SMILES           ACDLabs              12.01 "NCC1CCC(CC1)C(=O)NC1Cc2ccc(cc2)c2cc(NC(=O)CNC(=O)CCCNC(=O)Cc3ccc(cc3)NC1=O)c(C)cc2"                                                                                                                                                                                                                             
A1AHR InChI            InChI                1.06  "InChI=1S/C38H46N6O5/c1-24-4-11-30-21-32(24)43-36(47)23-41-34(45)3-2-18-40-35(46)20-26-9-16-31(17-10-26)42-38(49)33(19-25-5-12-28(30)13-6-25)44-37(48)29-14-7-27(22-39)8-15-29/h4-6,9-13,16-17,21,27,29,33H,2-3,7-8,14-15,18-20,22-23,39H2,1H3,(H,40,46)(H,41,45)(H,42,49)(H,43,47)(H,44,48)/t27-,29-,33-/m0/s1" 
A1AHR InChIKey         InChI                1.06  URXDTFSNSIZMCS-GSZYCOFVSA-N                                                                                                                                                                                                                                                                                      
A1AHR SMILES_CANONICAL CACTVS               3.385 "Cc1ccc2cc1NC(=O)CNC(=O)CCCNC(=O)Cc3ccc(NC(=O)[C@H](Cc4ccc2cc4)NC(=O)[C@H]5CC[C@H](CN)CC5)cc3"                                                                                                                                                                                                                   
A1AHR SMILES           CACTVS               3.385 "Cc1ccc2cc1NC(=O)CNC(=O)CCCNC(=O)Cc3ccc(NC(=O)[CH](Cc4ccc2cc4)NC(=O)[CH]5CC[CH](CN)CC5)cc3"                                                                                                                                                                                                                      
A1AHR SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "Cc1ccc-2cc1NC(=O)CNC(=O)CCCNC(=O)Cc3ccc(cc3)NC(=O)[C@H](Cc4ccc2cc4)NC(=O)C5CCC(CC5)CN"                                                                                                                                                                                                                          
A1AHR SMILES           "OpenEye OEToolkits" 2.0.7 "Cc1ccc-2cc1NC(=O)CNC(=O)CCCNC(=O)Cc3ccc(cc3)NC(=O)C(Cc4ccc2cc4)NC(=O)C5CCC(CC5)CN"                                                                                                                                                                                                                              
# 
_pdbx_chem_comp_identifier.comp_id           A1AHR 
_pdbx_chem_comp_identifier.type              "SYSTEMATIC NAME" 
_pdbx_chem_comp_identifier.program           ACDLabs 
_pdbx_chem_comp_identifier.program_version   12.01 
_pdbx_chem_comp_identifier.identifier        "(1r,4S)-4-(aminomethyl)-N-[(24S)-5-methyl-8,11,16,23-tetraoxo-7,10,15,22-tetraazatetracyclo[24.2.2.2~18,21~.1~2,6~]tritriaconta-1(28),2(33),3,5,18,20,26,29,31-nonaen-24-yl]cyclohexane-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 
A1AHR "Create component" 2024-03-11 RCSB 
A1AHR "Initial release"  2024-10-30 RCSB 
# 
