data_A1AZX
# 
_chem_comp.id                                    A1AZX 
_chem_comp.name                                  "(2R)-2-amino-N-(2-{[(1R)-1-cyclopentyl-2-{[(1M,8S,10S,14S,21M)-22-ethyl-4-hydroxy-21-{2-[(1R)-1-methoxyethyl]pyridin-3-yl}-18,18-dimethyl-9,15-dioxo-16-oxa-10,22,28-triazapentacyclo[18.5.2.1~2,6~.1~10,14~.0~23,27~]nonacosa-1(25),2(29),3,5,20,23,26-heptaen-8-yl]amino}-2-oxoethyl](methyl)amino}-2-oxoethyl)-N-methylpropanamide (non-preferred name)" 
_chem_comp.type                                  non-polymer 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C51 H68 N8 O8" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2024-07-25 
_chem_comp.pdbx_modified_date                    2025-07-18 
_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                        921.134 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     A1AZX 
_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        9CT8 
_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 
A1AZX C1  C1  C 0 1 N N N N N N 24.233 -15.038 28.297 -7.591 -0.321 1.948  C1  A1AZX 1   
A1AZX C10 C2  C 0 1 N N N N N N 27.738 -11.578 24.365 -3.711 -4.014 1.765  C10 A1AZX 2   
A1AZX C11 C3  C 0 1 N N N N N N 26.823 -14.524 24.095 -5.613 -2.632 3.912  C11 A1AZX 3   
A1AZX C12 C4  C 0 1 Y N N N N N 27.564 -12.434 29.292 -3.852 -0.544 -0.345 C12 A1AZX 4   
A1AZX C13 C5  C 0 1 Y N N N N N 28.011 -13.687 29.832 -3.755 0.851  0.082  C13 A1AZX 5   
A1AZX C14 C6  C 0 1 Y N N N N N 28.953 -14.037 30.810 -2.707 1.772  0.146  C14 A1AZX 6   
A1AZX C15 C7  C 0 1 Y N N N N N 29.147 -15.377 31.136 -2.948 3.047  0.637  C15 A1AZX 7   
A1AZX C16 C8  C 0 1 Y N N N N N 28.424 -16.366 30.430 -4.230 3.400  1.070  C16 A1AZX 8   
A1AZX C17 C9  C 0 1 Y N N N N N 27.493 -16.054 29.466 -5.264 2.511  0.991  C17 A1AZX 9   
A1AZX C18 C10 C 0 1 Y N N N N N 27.300 -14.707 29.168 -5.049 1.232  0.486  C18 A1AZX 10  
A1AZX C19 C11 C 0 1 Y N N N N N 30.154 -15.775 32.153 -1.851 4.044  0.686  C19 A1AZX 11  
A1AZX C2  C12 C 0 1 N N N N N N 25.470 -14.833 27.453 -7.325 0.144  0.515  C2  A1AZX 12  
A1AZX C20 C13 C 0 1 Y N N N N N 30.719 -17.054 32.138 -2.055 5.275  1.305  C20 A1AZX 13  
A1AZX C21 C14 C 0 1 Y N N N N N 31.671 -17.405 33.086 -1.028 6.204  1.346  C21 A1AZX 14  
A1AZX C22 C15 C 0 1 Y N N N N N 32.082 -16.490 34.045 0.197  5.911  0.763  C22 A1AZX 15  
A1AZX C23 C16 C 0 1 Y N N N N N 31.539 -15.210 34.073 0.397  4.693  0.141  C23 A1AZX 16  
A1AZX C24 C17 C 0 1 Y N N N N N 30.585 -14.866 33.120 -0.618 3.758  0.103  C24 A1AZX 17  
A1AZX C25 C18 C 0 1 N N N N N N 32.007 -14.209 35.102 1.725  4.386  -0.504 C25 A1AZX 18  
A1AZX C26 C19 C 0 1 N N S N N N 33.540 -14.033 35.061 1.631  3.053  -1.247 C26 A1AZX 19  
A1AZX C27 C20 C 0 1 N N N N N N 35.103 -15.853 35.517 3.040  1.817  0.310  C27 A1AZX 20  
A1AZX C28 C21 C 0 1 N N S N N N 35.598 -16.853 36.553 3.223  0.765  1.373  C28 A1AZX 21  
A1AZX C29 C22 C 0 1 N N N N N N 37.117 -16.842 36.718 2.722  1.304  2.715  C29 A1AZX 22  
A1AZX C3  C23 C 0 1 Y N N N N N 26.604 -12.722 28.347 -5.154 -0.903 -0.224 C3  A1AZX 23  
A1AZX C30 C24 C 0 1 N N N N N N 37.600 -15.500 37.283 1.216  1.609  2.631  C30 A1AZX 24  
A1AZX C31 C25 C 0 1 N N N N N N 38.064 -15.834 38.693 0.525  0.712  3.679  C31 A1AZX 25  
A1AZX C32 C26 C 0 1 N N N N N N 38.728 -17.163 38.507 1.641  0.401  4.707  C32 A1AZX 26  
A1AZX C33 C27 C 0 1 N N N N N N 37.634 -17.885 37.738 2.893  0.232  3.812  C33 A1AZX 27  
A1AZX C34 C28 C 0 1 N N N N N N 35.671 -19.025 35.194 5.601  1.425  1.967  C34 A1AZX 28  
A1AZX C35 C29 C 0 1 N N N N N N 33.843 -18.487 36.729 5.071  -0.806 1.142  C35 A1AZX 29  
A1AZX C36 C30 C 0 1 N N N N N N 33.285 -19.871 36.393 6.510  -1.194 1.367  C36 A1AZX 30  
A1AZX C37 C31 C 0 1 N N N N N N 30.808 -19.900 36.313 7.255  -2.706 -0.530 C37 A1AZX 31  
A1AZX C38 C32 C 0 1 N N N N N N 32.063 -20.426 38.403 6.484  -3.620 1.593  C38 A1AZX 32  
A1AZX C39 C33 C 0 1 N N R N N N 30.776 -20.705 39.169 6.600  -5.002 1.002  C39 A1AZX 33  
A1AZX C4  C34 C 0 1 Y N N N N N 25.803 -11.776 27.539 -5.707 -2.232 -0.565 C4  A1AZX 34  
A1AZX C40 C35 C 0 1 N N N N N N 30.597 -22.203 39.367 8.063  -5.448 1.030  C40 A1AZX 35  
A1AZX C41 C36 C 0 1 N N N N N N 33.935 -12.599 35.395 2.679  2.998  -2.331 C41 A1AZX 36  
A1AZX C42 C37 C 0 1 N N N N N N 34.251 -10.280 34.508 3.840  1.763  -4.100 C42 A1AZX 37  
A1AZX C43 C38 C 0 1 N N N N N N 33.070 -9.416  34.078 4.318  0.313  -4.197 C43 A1AZX 38  
A1AZX C44 C39 C 0 1 N N N N N N 32.560 -9.834  32.703 3.151  -0.640 -4.423 C44 A1AZX 39  
A1AZX C45 C40 C 0 1 N N S N N N 32.224 -11.326 32.678 1.836  -0.041 -3.940 C45 A1AZX 40  
A1AZX C46 C41 C 0 1 N N N N N N 31.880 -11.731 31.260 0.851  -1.138 -3.618 C46 A1AZX 41  
A1AZX C47 C42 C 0 1 N N N N N N 30.487 -11.262 29.419 -1.249 -1.904 -2.778 C47 A1AZX 42  
A1AZX C48 C43 C 0 1 N N N N N N 29.243 -10.431 29.115 -2.598 -1.326 -2.342 C48 A1AZX 43  
A1AZX C49 C44 C 0 1 N N N N N N 29.379 -9.026  29.716 -2.691 0.138  -2.777 C49 A1AZX 44  
A1AZX C5  C45 C 0 1 Y N N N N N 24.853 -10.973 28.179 -6.337 -2.446 -1.796 C5  A1AZX 45  
A1AZX C50 C46 C 0 1 N N N N N N 29.090 -10.331 27.596 -3.730 -2.125 -2.993 C50 A1AZX 46  
A1AZX C51 C47 C 0 1 N N N N N N 28.010 -11.078 29.749 -2.720 -1.418 -0.821 C51 A1AZX 47  
A1AZX C6  C48 C 0 1 Y N N N N N 24.087 -10.093 27.446 -6.837 -3.708 -2.066 C6  A1AZX 48  
A1AZX C7  C49 C 0 1 Y N N N N N 24.288 -10.037 26.090 -6.699 -4.707 -1.121 C7  A1AZX 49  
A1AZX C8  C50 C 0 1 Y N N N N N 25.939 -11.647 26.134 -5.604 -3.295 0.333  C8  A1AZX 50  
A1AZX C9  C51 C 0 1 N N S N N N 26.906 -12.448 25.287 -4.924 -3.087 1.662  C9  A1AZX 51  
A1AZX N1  N1  N 0 1 Y N N N N N 26.460 -14.109 28.246 -5.881 0.156  0.266  N1  A1AZX 52  
A1AZX N2  N2  N 0 1 Y N N N N N 25.182 -10.785 25.438 -6.100 -4.477 0.032  N2  A1AZX 53  
A1AZX N3  N3  N 0 1 N N N N N N 34.197 -14.973 35.952 1.848  1.954  -0.304 N3  A1AZX 54  
A1AZX N4  N4  N 0 1 N N N N N N 35.030 -18.155 36.182 4.644  0.426  1.484  N4  A1AZX 55  
A1AZX N5  N5  N 0 1 N N N N N N 32.032 -20.087 37.095 6.742  -2.538 0.832  N5  A1AZX 56  
A1AZX N6  N6  N 0 1 N N N N N N 30.890 -20.036 40.495 5.787  -5.940 1.787  N6  A1AZX 57  
A1AZX N7  N7  N 0 1 N N S N N N 33.864 -11.703 34.351 2.845  1.857  -3.026 N7  A1AZX 58  
A1AZX N8  N8  N 0 1 N N N N N N 33.389 -12.089 33.099 2.072  0.762  -2.730 N8  A1AZX 59  
A1AZX O1  O1  O 0 1 N N N N N N 26.113 -13.346 24.504 -5.841 -3.382 2.718  O1  A1AZX 60  
A1AZX O2  O2  O 0 1 N N N N N N 32.254 -18.638 33.101 -1.221 7.403  1.956  O2  A1AZX 61  
A1AZX O3  O3  O 0 1 N N N N N N 35.516 -15.907 34.355 3.964  2.541  0.007  O3  A1AZX 62  
A1AZX O4  O4  O 0 1 N N N N N N 33.222 -17.720 37.460 4.298  -1.602 0.652  O4  A1AZX 63  
A1AZX O5  O5  O 0 1 N N N N N N 33.145 -20.532 38.981 6.159  -3.482 2.753  O5  A1AZX 64  
A1AZX O6  O6  O 0 1 N N N N N N 34.361 -12.264 36.492 3.364  3.969  -2.573 O6  A1AZX 65  
A1AZX O7  O7  O 0 1 N N N N N N 32.577 -12.429 30.578 1.119  -2.290 -3.863 O7  A1AZX 66  
A1AZX O8  O8  O 0 1 N N N N N N 30.765 -11.141 30.841 -0.326 -0.819 -3.054 O8  A1AZX 67  
A1AZX H1  H1  H 0 1 N N N N N N 23.476 -15.583 27.713 -8.665 -0.331 2.133  H1  A1AZX 68  
A1AZX H2  H2  H 0 1 N N N N N N 24.493 -15.620 29.193 -7.190 -1.325 2.085  H2  A1AZX 69  
A1AZX H3  H3  H 0 1 N N N N N N 23.829 -14.060 28.599 -7.108 0.362  2.647  H3  A1AZX 70  
A1AZX H12 H4  H 0 1 N N N N N N 28.419 -12.212 23.777 -3.036 -3.823 0.932  H12 A1AZX 71  
A1AZX H10 H5  H 0 1 N N N N N N 27.074 -11.025 23.685 -3.191 -3.828 2.705  H10 A1AZX 72  
A1AZX H11 H6  H 0 1 N N N N N N 28.325 -10.866 24.964 -4.044 -5.052 1.734  H11 A1AZX 73  
A1AZX H13 H7  H 0 1 N N N N N N 26.157 -15.166 23.500 -4.611 -2.842 4.288  H13 A1AZX 74  
A1AZX H15 H8  H 0 1 N N N N N N 27.693 -14.235 23.487 -5.704 -1.568 3.696  H15 A1AZX 75  
A1AZX H14 H9  H 0 1 N N N N N N 27.164 -15.074 24.985 -6.350 -2.914 4.665  H14 A1AZX 76  
A1AZX H16 H10 H 0 1 N N N N N N 29.526 -13.270 31.309 -1.717 1.494  -0.185 H16 A1AZX 77  
A1AZX H17 H11 H 0 1 N N N N N N 28.610 -17.406 30.656 -4.405 4.388  1.471  H17 A1AZX 78  
A1AZX H18 H12 H 0 1 N N N N N N 26.932 -16.825 28.959 -6.250 2.801  1.321  H18 A1AZX 79  
A1AZX H4  H13 H 0 1 N N N N N N 25.879 -15.809 27.151 -7.808 -0.539 -0.184 H4  A1AZX 80  
A1AZX H5  H14 H 0 1 N N N N N N 25.214 -14.249 26.556 -7.726 1.148  0.378  H5  A1AZX 81  
A1AZX H19 H15 H 0 1 N N N N N N 30.415 -17.769 31.388 -3.011 5.504  1.752  H19 A1AZX 82  
A1AZX H21 H16 H 0 1 N N N N N N 32.827 -16.773 34.773 0.997  6.637  0.796  H21 A1AZX 83  
A1AZX H22 H17 H 0 1 N N N N N N 30.168 -13.870 33.129 -0.456 2.805  -0.379 H22 A1AZX 84  
A1AZX H24 H18 H 0 1 N N N N N N 31.530 -13.239 34.900 1.979  5.179  -1.208 H24 A1AZX 85  
A1AZX H23 H19 H 0 1 N N N N N N 31.714 -14.561 36.102 2.496  4.321  0.264  H23 A1AZX 86  
A1AZX H25 H20 H 0 1 N N N N N N 33.868 -14.238 34.031 0.642  2.957  -1.695 H25 A1AZX 87  
A1AZX H27 H21 H 0 1 N N N N N N 35.165 -16.560 37.521 2.657  -0.126 1.105  H27 A1AZX 88  
A1AZX H28 H22 H 0 1 N N N N N N 37.594 -17.021 35.743 3.271  2.206  2.984  H28 A1AZX 89  
A1AZX H29 H23 H 0 1 N N N N N N 38.431 -15.101 36.683 1.035  2.659  2.860  H29 A1AZX 90  
A1AZX H30 H24 H 0 1 N N N N N N 36.779 -14.768 37.306 0.843  1.374  1.634  H30 A1AZX 91  
A1AZX H31 H25 H 0 1 N N N N N N 38.775 -15.083 39.066 -0.296 1.247  4.157  H31 A1AZX 92  
A1AZX H32 H26 H 0 1 N N N N N N 37.212 -15.908 39.385 0.165  -0.207 3.217  H32 A1AZX 93  
A1AZX H34 H27 H 0 1 N N N N N N 39.655 -17.080 37.921 1.771  1.233  5.400  H34 A1AZX 94  
A1AZX H33 H28 H 0 1 N N N N N N 38.945 -17.652 39.468 1.424  -0.521 5.246  H33 A1AZX 95  
A1AZX H35 H29 H 0 1 N N N N N N 38.041 -18.766 37.220 2.916  -0.764 3.371  H35 A1AZX 96  
A1AZX H36 H30 H 0 1 N N N N N N 36.826 -18.199 38.415 3.801  0.417  4.386  H36 A1AZX 97  
A1AZX H38 H31 H 0 1 N N N N N N 35.077 -19.943 35.073 5.749  1.298  3.039  H38 A1AZX 98  
A1AZX H37 H32 H 0 1 N N N N N N 35.735 -18.500 34.230 6.552  1.296  1.451  H37 A1AZX 99  
A1AZX H39 H33 H 0 1 N N N N N N 36.683 -19.286 35.537 5.213  2.424  1.770  H39 A1AZX 100 
A1AZX H41 H34 H 0 1 N N N N N N 33.111 -19.940 35.309 7.162  -0.484 0.860  H41 A1AZX 101 
A1AZX H40 H35 H 0 1 N N N N N N 34.010 -20.640 36.698 6.725  -1.186 2.435  H40 A1AZX 102 
A1AZX H42 H36 H 0 1 N N N N N N 29.932 -20.091 36.951 8.345  -2.683 -0.513 H42 A1AZX 103 
A1AZX H43 H37 H 0 1 N N N N N N 30.768 -18.868 35.935 6.918  -3.662 -0.930 H43 A1AZX 104 
A1AZX H44 H38 H 0 1 N N N N N N 30.804 -20.601 35.465 6.885  -1.897 -1.160 H44 A1AZX 105 
A1AZX H45 H39 H 0 1 N N N N N N 29.918 -20.299 38.612 6.244  -4.987 -0.028 H45 A1AZX 106 
A1AZX H48 H40 H 0 1 N N N N N N 29.665 -22.391 39.921 8.445  -5.378 2.049  H48 A1AZX 107 
A1AZX H46 H41 H 0 1 N N N N N N 30.547 -22.699 38.386 8.135  -6.479 0.685  H46 A1AZX 108 
A1AZX H47 H42 H 0 1 N N N N N N 31.449 -22.602 39.937 8.652  -4.804 0.377  H47 A1AZX 109 
A1AZX H52 H43 H 0 1 N N N N N N 34.499 -10.075 35.560 4.686  2.412  -3.874 H52 A1AZX 110 
A1AZX H53 H44 H 0 1 N N N N N N 35.124 -10.059 33.876 3.388  2.063  -5.046 H53 A1AZX 111 
A1AZX H55 H45 H 0 1 N N N N N N 32.258 -9.526  34.812 5.019  0.223  -5.027 H55 A1AZX 112 
A1AZX H54 H46 H 0 1 N N N N N N 33.389 -8.364  34.039 4.826  0.043  -3.271 H54 A1AZX 113 
A1AZX H57 H47 H 0 1 N N N N N N 31.655 -9.257  32.463 3.072  -0.859 -5.488 H57 A1AZX 114 
A1AZX H56 H48 H 0 1 N N N N N N 33.337 -9.627  31.952 3.340  -1.568 -3.883 H56 A1AZX 115 
A1AZX H58 H49 H 0 1 N N N N N N 31.369 -11.524 33.341 1.415  0.599  -4.716 H58 A1AZX 116 
A1AZX H60 H50 H 0 1 N N N N N N 31.341 -10.884 28.837 -0.847 -2.529 -1.981 H60 A1AZX 117 
A1AZX H61 H51 H 0 1 N N N N N N 30.305 -12.316 29.161 -1.384 -2.505 -3.678 H61 A1AZX 118 
A1AZX H63 H52 H 0 1 N N N N N N 28.476 -8.440  29.489 -2.602 0.201  -3.861 H63 A1AZX 119 
A1AZX H64 H53 H 0 1 N N N N N N 29.500 -9.104  30.806 -3.651 0.549  -2.466 H64 A1AZX 120 
A1AZX H62 H54 H 0 1 N N N N N N 30.258 -8.526  29.284 -1.885 0.706  -2.312 H62 A1AZX 121 
A1AZX H6  H55 H 0 1 N N N N N N 24.720 -11.043 29.248 -6.431 -1.647 -2.516 H6  A1AZX 122 
A1AZX H67 H56 H 0 1 N N N N N N 28.197 -9.735  27.355 -3.795 -3.108 -2.527 H67 A1AZX 123 
A1AZX H65 H57 H 0 1 N N N N N N 29.980 -9.847  27.169 -4.672 -1.594 -2.858 H65 A1AZX 124 
A1AZX H66 H58 H 0 1 N N N N N N 28.982 -11.340 27.171 -3.527 -2.240 -4.058 H66 A1AZX 125 
A1AZX H68 H59 H 0 1 N N N N N N 28.210 -11.155 30.828 -1.789 -1.085 -0.362 H68 A1AZX 126 
A1AZX H69 H60 H 0 1 N N N N N N 27.167 -10.391 29.580 -2.915 -2.451 -0.534 H69 A1AZX 127 
A1AZX H7  H61 H 0 1 N N N N N N 23.350 -9.466  27.925 -7.329 -3.910 -3.006 H7  A1AZX 128 
A1AZX H8  H62 H 0 1 N N N N N N 23.688 -9.347  25.516 -7.089 -5.693 -1.329 H8  A1AZX 129 
A1AZX H9  H63 H 0 1 N N N N N N 27.578 -13.014 25.949 -4.597 -2.050 1.745  H9  A1AZX 130 
A1AZX H26 H64 H 0 1 N N N N N N 33.963 -14.961 36.924 1.133  1.324  -0.121 H26 A1AZX 131 
A1AZX H51 H65 H 0 1 N N N N N N 30.058 -20.201 41.025 6.097  -5.972 2.747  H51 A1AZX 132 
A1AZX H50 H66 H 0 1 N N N N N N 31.677 -20.406 40.988 4.807  -5.704 1.732  H50 A1AZX 133 
A1AZX H59 H68 H 0 1 N N N N N N 33.141 -13.057 33.136 1.201  1.039  -2.304 H59 A1AZX 134 
A1AZX H20 H69 H 0 1 N N N N N N 32.874 -18.687 33.819 -0.996 7.406  2.897  H20 A1AZX 135 
# 
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 
A1AZX C1  C2  SING N N 1   
A1AZX C2  N1  SING N N 2   
A1AZX N1  C3  SING Y N 3   
A1AZX C3  C4  SING N N 4   
A1AZX C4  C5  DOUB Y N 5   
A1AZX C5  C6  SING Y N 6   
A1AZX C6  C7  DOUB Y N 7   
A1AZX C7  N2  SING Y N 8   
A1AZX N2  C8  DOUB Y N 9   
A1AZX C8  C9  SING N N 10  
A1AZX C9  C10 SING N N 11  
A1AZX C9  O1  SING N N 12  
A1AZX O1  C11 SING N N 13  
A1AZX C3  C12 DOUB Y N 14  
A1AZX C12 C13 SING Y N 15  
A1AZX C13 C14 DOUB Y N 16  
A1AZX C14 C15 SING Y N 17  
A1AZX C15 C16 DOUB Y N 18  
A1AZX C16 C17 SING Y N 19  
A1AZX C17 C18 DOUB Y N 20  
A1AZX C15 C19 SING N N 21  
A1AZX C19 C20 DOUB Y N 22  
A1AZX C20 C21 SING Y N 23  
A1AZX C21 O2  SING N N 24  
A1AZX C21 C22 DOUB Y N 25  
A1AZX C22 C23 SING Y N 26  
A1AZX C23 C24 DOUB Y N 27  
A1AZX C23 C25 SING N N 28  
A1AZX C25 C26 SING N N 29  
A1AZX C26 N3  SING N N 30  
A1AZX N3  C27 SING N N 31  
A1AZX C27 O3  DOUB N N 32  
A1AZX C27 C28 SING N N 33  
A1AZX C28 C29 SING N N 34  
A1AZX C29 C30 SING N N 35  
A1AZX C30 C31 SING N N 36  
A1AZX C31 C32 SING N N 37  
A1AZX C32 C33 SING N N 38  
A1AZX C28 N4  SING N N 39  
A1AZX N4  C34 SING N N 40  
A1AZX N4  C35 SING N N 41  
A1AZX C35 O4  DOUB N N 42  
A1AZX C35 C36 SING N N 43  
A1AZX C36 N5  SING N N 44  
A1AZX N5  C37 SING N N 45  
A1AZX N5  C38 SING N N 46  
A1AZX C38 O5  DOUB N N 47  
A1AZX C38 C39 SING N N 48  
A1AZX C39 C40 SING N N 49  
A1AZX C39 N6  SING N N 50  
A1AZX C26 C41 SING N N 51  
A1AZX C41 O6  DOUB N N 52  
A1AZX C41 N7  SING N N 53  
A1AZX N7  C42 SING N N 54  
A1AZX C42 C43 SING N N 55  
A1AZX C43 C44 SING N N 56  
A1AZX C44 C45 SING N N 57  
A1AZX C45 N8  SING N N 58  
A1AZX C45 C46 SING N N 59  
A1AZX C46 O7  DOUB N N 60  
A1AZX C46 O8  SING N N 61  
A1AZX O8  C47 SING N N 62  
A1AZX C47 C48 SING N N 63  
A1AZX C48 C49 SING N N 64  
A1AZX C48 C50 SING N N 65  
A1AZX C48 C51 SING N N 66  
A1AZX N1  C18 SING Y N 67  
A1AZX C19 C24 SING Y N 68  
A1AZX C29 C33 SING N N 69  
A1AZX N7  N8  SING N N 70  
A1AZX C4  C8  SING Y N 71  
A1AZX C12 C51 SING N N 72  
A1AZX C13 C18 SING Y N 73  
A1AZX C1  H1  SING N N 74  
A1AZX C1  H2  SING N N 75  
A1AZX C1  H3  SING N N 76  
A1AZX C10 H12 SING N N 77  
A1AZX C10 H10 SING N N 78  
A1AZX C10 H11 SING N N 79  
A1AZX C11 H13 SING N N 80  
A1AZX C11 H15 SING N N 81  
A1AZX C11 H14 SING N N 82  
A1AZX C14 H16 SING N N 83  
A1AZX C16 H17 SING N N 84  
A1AZX C17 H18 SING N N 85  
A1AZX C2  H4  SING N N 86  
A1AZX C2  H5  SING N N 87  
A1AZX C20 H19 SING N N 88  
A1AZX C22 H21 SING N N 89  
A1AZX C24 H22 SING N N 90  
A1AZX C25 H24 SING N N 91  
A1AZX C25 H23 SING N N 92  
A1AZX C26 H25 SING N N 93  
A1AZX C28 H27 SING N N 94  
A1AZX C29 H28 SING N N 95  
A1AZX C30 H29 SING N N 96  
A1AZX C30 H30 SING N N 97  
A1AZX C31 H31 SING N N 98  
A1AZX C31 H32 SING N N 99  
A1AZX C32 H34 SING N N 100 
A1AZX C32 H33 SING N N 101 
A1AZX C33 H35 SING N N 102 
A1AZX C33 H36 SING N N 103 
A1AZX C34 H38 SING N N 104 
A1AZX C34 H37 SING N N 105 
A1AZX C34 H39 SING N N 106 
A1AZX C36 H41 SING N N 107 
A1AZX C36 H40 SING N N 108 
A1AZX C37 H42 SING N N 109 
A1AZX C37 H43 SING N N 110 
A1AZX C37 H44 SING N N 111 
A1AZX C39 H45 SING N N 112 
A1AZX C40 H48 SING N N 113 
A1AZX C40 H46 SING N N 114 
A1AZX C40 H47 SING N N 115 
A1AZX C42 H52 SING N N 116 
A1AZX C42 H53 SING N N 117 
A1AZX C43 H55 SING N N 118 
A1AZX C43 H54 SING N N 119 
A1AZX C44 H57 SING N N 120 
A1AZX C44 H56 SING N N 121 
A1AZX C45 H58 SING N N 122 
A1AZX C47 H60 SING N N 123 
A1AZX C47 H61 SING N N 124 
A1AZX C49 H63 SING N N 125 
A1AZX C49 H64 SING N N 126 
A1AZX C49 H62 SING N N 127 
A1AZX C5  H6  SING N N 128 
A1AZX C50 H67 SING N N 129 
A1AZX C50 H65 SING N N 130 
A1AZX C50 H66 SING N N 131 
A1AZX C51 H68 SING N N 132 
A1AZX C51 H69 SING N N 133 
A1AZX C6  H7  SING N N 134 
A1AZX C7  H8  SING N N 135 
A1AZX C9  H9  SING N N 136 
A1AZX N3  H26 SING N N 137 
A1AZX N6  H51 SING N N 138 
A1AZX N6  H50 SING N N 139 
A1AZX N8  H59 SING N N 140 
A1AZX O2  H20 SING N N 141 
# 
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 
A1AZX SMILES           ACDLabs              12.01 "CC(N)C(=O)N(C)CC(=O)N(C)C(C1CCCC1)C(=O)NC1Cc2cc(cc(O)c2)c2ccc3c(c2)c(CC(C)(C)COC(=O)C2CCCN(N2)C1=O)c(n3CC)c1cccnc1C(C)OC"                                                                                                                                                                                                                                              
A1AZX InChI            InChI                1.06  "InChI=1S/C51H68N8O8/c1-9-58-42-19-18-34-26-38(42)39(46(58)37-16-12-20-53-44(37)31(3)66-8)27-51(4,5)29-67-50(65)40-17-13-21-59(55-40)49(64)41(24-32-22-35(34)25-36(60)23-32)54-47(62)45(33-14-10-11-15-33)57(7)43(61)28-56(6)48(63)30(2)52/h12,16,18-20,22-23,25-26,30-31,33,40-41,45,55,60H,9-11,13-15,17,21,24,27-29,52H2,1-8H3,(H,54,62)/t30?,31-,40+,41?,45?/m1/s1" 
A1AZX InChIKey         InChI                1.06  SCSPCGZHAKKNOM-UOVDXZPVSA-N                                                                                                                                                                                                                                                                                                                                             
A1AZX SMILES_CANONICAL CACTVS               3.385 "CCn1c2ccc3cc2c(CC(C)(C)COC(=O)[C@@H]4CCC[N@](N4)C(=O)[C@H](Cc5cc(O)cc3c5)NC(=O)[C@H](C6CCCC6)N(C)C(=O)CN(C)C(=O)[C@@H](C)N)c1c7cccnc7[C@H](C)OC"                                                                                                                                                                                                                       
A1AZX SMILES           CACTVS               3.385 "CCn1c2ccc3cc2c(CC(C)(C)COC(=O)[CH]4CCC[N](N4)C(=O)[CH](Cc5cc(O)cc3c5)NC(=O)[CH](C6CCCC6)N(C)C(=O)CN(C)C(=O)[CH](C)N)c1c7cccnc7[CH](C)OC"                                                                                                                                                                                                                               
A1AZX SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "CCn1c2ccc-3cc2c(c1c4cccnc4[C@H](C)OC)CC(COC(=O)[C@@H]5CCCN(N5)C(=O)[C@H](Cc6cc3cc(c6)O)NC(=O)[C@H](C7CCCC7)N(C)C(=O)CN(C)C(=O)[C@@H](C)N)(C)C"                                                                                                                                                                                                                         
A1AZX SMILES           "OpenEye OEToolkits" 2.0.7 "CCn1c2ccc-3cc2c(c1c4cccnc4C(C)OC)CC(COC(=O)C5CCCN(N5)C(=O)C(Cc6cc3cc(c6)O)NC(=O)C(C7CCCC7)N(C)C(=O)CN(C)C(=O)C(C)N)(C)C"                                                                                                                                                                                                                                               
# 
_pdbx_chem_comp_identifier.comp_id           A1AZX 
_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        "(2R)-2-amino-N-(2-{[(1R)-1-cyclopentyl-2-{[(1M,8S,10S,14S,21M)-22-ethyl-4-hydroxy-21-{2-[(1R)-1-methoxyethyl]pyridin-3-yl}-18,18-dimethyl-9,15-dioxo-16-oxa-10,22,28-triazapentacyclo[18.5.2.1~2,6~.1~10,14~.0~23,27~]nonacosa-1(25),2(29),3,5,20,23,26-heptaen-8-yl]amino}-2-oxoethyl](methyl)amino}-2-oxoethyl)-N-methylpropanamide (non-preferred name)" 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
A1AZX "Create component" 2024-07-25 RCSB 
A1AZX "Initial release"  2025-07-23 RCSB 
# 
