data_A1A24
# 
_chem_comp.id                                    A1A24 
_chem_comp.name                                  "(1P)-3-amino-6-[({1-[(2R)-2-(2,4-difluorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl]piperidin-4-yl}amino)methyl]-1-(4-phenyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)thieno[2,3-b]pyrazin-2(1H)-one" 
_chem_comp.type                                  non-polymer 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C37 H37 F2 N9 O3 S" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2024-08-22 
_chem_comp.pdbx_modified_date                    2025-09-05 
_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                        725.810 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     A1A24 
_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        9D9I 
_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 
A1A24 C1  C1  C 0 1 Y N N N N N 1.629  9.436  27.205 -2.463 -2.026 -1.036 C1  A1A24 1  
A1A24 C2  C2  C 0 1 Y N N N N N 0.944  8.992  28.352 -1.589 -3.023 -0.979 C2  A1A24 2  
A1A24 C3  C3  C 0 1 Y N N N N N -0.485 10.272 26.700 -3.954 -3.702 -0.446 C3  A1A24 3  
A1A24 C4  C4  C 0 1 Y N N N N N 0.896  10.140 26.310 -3.788 -2.360 -0.747 C4  A1A24 4  
A1A24 C5  C5  C 0 1 Y N N N N N 2.572  10.510 24.577 -4.755 -0.157 -1.028 C5  A1A24 5  
A1A24 C6  C6  C 0 1 Y N N N N N 3.536  11.433 24.775 -4.900 0.797  -0.029 C6  A1A24 6  
A1A24 C7  C7  C 0 1 Y N N N N N 4.838  11.241 24.198 -4.756 2.140  -0.332 C7  A1A24 7  
A1A24 N1  N1  N 0 1 N N N N N N 1.227  10.717 25.077 -4.900 -1.516 -0.727 N1  A1A24 8  
A1A24 N2  N2  N 0 1 N N N N N N -1.950 12.048 24.079 -7.469 -3.986 0.217  N2  A1A24 9  
A1A24 N3  N3  N 0 1 N N N N N N -1.428 10.943 26.012 -5.162 -4.200 -0.137 N3  A1A24 10 
A1A24 N4  N4  N 0 1 N N N N N N 5.881  12.161 24.410 -4.904 3.108  0.675  N4  A1A24 11 
A1A24 C8  C8  C 0 1 Y N N N N N 5.042  10.190 23.415 -4.464 2.538  -1.635 C8  A1A24 12 
A1A24 C10 C9  C 0 1 Y N N N N N 2.802  9.388  23.707 -4.473 0.241  -2.329 C10 A1A24 13 
A1A24 C11 C10 C 0 1 N N N N N N 0.327  11.363 24.360 -6.111 -2.015 -0.417 C11 A1A24 14 
A1A24 C12 C11 C 0 1 N N N N N N -1.050 11.419 24.866 -6.232 -3.441 -0.106 C12 A1A24 15 
A1A24 C13 C12 C 0 1 N N N N N N 1.417  8.154  29.413 -0.112 -2.887 -1.247 C13 A1A24 16 
A1A24 C14 C13 C 0 1 N N N N N N 7.144  11.877 23.798 -4.442 4.475  0.384  C14 A1A24 17 
A1A24 C15 C14 C 0 1 N N N N N N 7.283  10.550 23.305 -4.875 4.816  -1.049 C15 A1A24 18 
A1A24 C16 C15 C 0 1 Y N N N N N 5.747  13.401 25.090 -5.471 2.784  1.910  C16 A1A24 19 
A1A24 C17 C16 C 0 1 Y N N N N N 6.482  13.650 26.167 -4.698 2.828  3.063  C17 A1A24 20 
A1A24 C18 C17 C 0 1 Y N N N N N 6.354  14.956 26.815 -5.262 2.508  4.283  C18 A1A24 21 
A1A24 C19 C18 C 0 1 Y N N N N N 5.528  15.882 26.339 -6.594 2.143  4.356  C19 A1A24 22 
A1A24 C20 C19 C 0 1 Y N N N N N 4.773  15.591 25.132 -7.366 2.099  3.210  C20 A1A24 23 
A1A24 C21 C20 C 0 1 Y N N N N N 4.846  14.348 24.595 -6.811 2.424  1.988  C21 A1A24 24 
A1A24 C22 C21 C 0 1 N N N N N N 2.235  5.978  28.515 2.032  -2.436 -0.215 C22 A1A24 25 
A1A24 C23 C22 C 0 1 N N N N N N 2.721  6.444  27.226 2.781  -2.730 1.087  C23 A1A24 26 
A1A24 C24 C23 C 0 1 N N N N N N 3.603  5.658  26.400 4.281  -2.524 0.865  C24 A1A24 27 
A1A24 C25 C24 C 0 1 N N N N N N 2.983  3.727  27.617 3.857  -0.850 -0.836 C25 A1A24 28 
A1A24 C26 C25 C 0 1 N N N N N N 1.903  4.466  28.433 2.344  -1.006 -0.665 C26 A1A24 29 
A1A24 C27 C26 C 0 1 N N N N N N 3.704  3.627  25.188 5.969  -0.867 0.350  C27 A1A24 30 
A1A24 C28 C27 C 0 1 N N R N N N 5.221  3.380  25.273 6.213  0.636  0.504  C28 A1A24 31 
A1A24 C29 C28 C 0 1 N N N N N N 5.577  2.222  24.315 7.718  0.910  0.502  C29 A1A24 32 
A1A24 C30 C29 C 0 1 Y N N N N N 6.040  4.565  24.823 5.567  1.370  -0.643 C30 A1A24 33 
A1A24 C31 C30 C 0 1 Y N N N N N 7.649  1.182  25.428 9.377  -0.679 1.520  C31 A1A24 34 
A1A24 C32 C31 C 0 1 Y N N N N N 8.973  1.361  23.745 8.810  -0.558 3.602  C32 A1A24 35 
A1A24 C33 C32 C 0 1 Y N N N N N 5.817  5.075  23.452 5.980  1.125  -1.942 C33 A1A24 36 
A1A24 C34 C33 C 0 1 Y N N N N N 6.546  6.129  23.062 5.386  1.799  -2.995 C34 A1A24 37 
A1A24 C35 C34 C 0 1 Y N N N N N 7.511  6.754  24.034 4.380  2.717  -2.748 C35 A1A24 38 
A1A24 C36 C35 C 0 1 Y N N N N N 7.734  6.315  25.218 3.969  2.961  -1.449 C36 A1A24 39 
A1A24 C37 C36 C 0 1 Y N N N N N 6.930  5.156  25.665 4.559  2.283  -0.398 C37 A1A24 40 
A1A24 C9  C37 C 0 1 Y N N N N N 4.022  9.188  23.203 -4.323 1.581  -2.629 C9  A1A24 41 
A1A24 F1  F1  F 0 1 N N N N N N 4.923  4.479  22.623 6.962  0.229  -2.181 F1  A1A24 42 
A1A24 F2  F2  F 0 1 N N N N N N 8.237  7.774  23.521 3.800  3.376  -3.775 F2  A1A24 43 
A1A24 N5  N5  N 0 1 N N N N N N 1.090  6.790  28.987 0.586  -2.575 0.007  N5  A1A24 44 
A1A24 N6  N6  N 0 1 N N N N N N 3.045  4.315  26.286 4.528  -1.140 0.439  N6  A1A24 45 
A1A24 N7  N7  N 0 1 Y N N N N N 6.989  1.812  24.368 8.349  0.183  1.606  N7  A1A24 46 
A1A24 N8  N8  N 0 1 Y N N N N N 8.853  0.904  25.006 9.641  -1.118 2.724  N8  A1A24 47 
A1A24 N9  N9  N 0 1 Y N N N N N 7.848  1.957  23.274 7.999  0.247  2.965  N9  A1A24 48 
A1A24 O1  O1  O 0 1 N N N N N N 0.598  11.855 23.185 -7.093 -1.291 -0.395 O1  A1A24 49 
A1A24 O2  O2  O 0 1 N N N N N N 6.238  9.861  22.750 -4.311 3.854  -1.943 O2  A1A24 50 
A1A24 O3  O3  O 0 1 N N N N N N 5.661  2.983  26.554 5.648  1.086  1.737  O3  A1A24 51 
A1A24 S1  S1  S 0 1 Y N N N N N -0.719 9.520  28.235 -2.395 -4.521 -0.547 S1  A1A24 52 
A1A24 H1  H1  H 0 1 N N N N N N 2.677  9.228  27.048 -2.168 -1.018 -1.287 H1  A1A24 53 
A1A24 H2  H2  H 0 1 N N N N N N 3.330  12.314 25.365 -5.125 0.491  0.983  H2  A1A24 54 
A1A24 H6  H3  H 0 1 N N N N N N -2.898 12.143 24.382 -8.257 -3.421 0.238  H6  A1A24 55 
A1A24 H5  H4  H 0 1 N N N N N N -1.668 12.418 23.194 -7.544 -4.931 0.422  H5  A1A24 56 
A1A24 H4  H5  H 0 1 N N N N N N 1.995  8.713  23.464 -4.362 -0.501 -3.106 H4  A1A24 57 
A1A24 H7  H6  H 0 1 N N N N N N 2.503  8.269  29.543 0.271  -3.824 -1.653 H7  A1A24 58 
A1A24 H8  H7  H 0 1 N N N N N N 0.907  8.398  30.356 0.055  -2.085 -1.965 H8  A1A24 59 
A1A24 H10 H8  H 0 1 N N N N N N 7.933  12.049 24.545 -4.895 5.176  1.084  H10 A1A24 60 
A1A24 H9  H9  H 0 1 N N N N N N 7.280  12.571 22.955 -3.355 4.523  0.464  H9  A1A24 61 
A1A24 H12 H10 H 0 1 N N N N N N 7.634  9.944  24.153 -5.963 4.786  -1.119 H12 A1A24 62 
A1A24 H11 H11 H 0 1 N N N N N N 8.067  10.590 22.534 -4.520 5.813  -1.311 H11 A1A24 63 
A1A24 H13 H12 H 0 1 N N N N N N 7.160  12.905 26.557 -3.658 3.112  3.007  H13 A1A24 64 
A1A24 H14 H13 H 0 1 N N N N N N 6.941  15.171 27.696 -4.662 2.541  5.180  H14 A1A24 65 
A1A24 H15 H14 H 0 1 N N N N N N 5.420  16.833 26.840 -7.032 1.892  5.311  H15 A1A24 66 
A1A24 H16 H15 H 0 1 N N N N N N 4.163  16.353 24.670 -8.406 1.814  3.271  H16 A1A24 67 
A1A24 H17 H16 H 0 1 N N N N N N 4.198  14.086 23.772 -7.415 2.393  1.094  H17 A1A24 68 
A1A24 H19 H17 H 0 1 N N N N N N 3.049  6.088  29.247 2.351  -3.138 -0.985 H19 A1A24 69 
A1A24 H21 H18 H 0 1 N N N N N N 3.248  7.389  27.422 2.432  -2.054 1.868  H21 A1A24 70 
A1A24 H20 H19 H 0 1 N N N N N N 1.827  6.642  26.616 2.595  -3.761 1.389  H20 A1A24 71 
A1A24 H23 H20 H 0 1 N N N N N N 4.600  5.609  26.862 4.816  -2.718 1.795  H23 A1A24 72 
A1A24 H22 H21 H 0 1 N N N N N N 3.683  6.114  25.402 4.631  -3.210 0.094  H22 A1A24 73 
A1A24 H24 H22 H 0 1 N N N N N N 2.724  2.661  27.539 4.210  -1.544 -1.599 H24 A1A24 74 
A1A24 H25 H23 H 0 1 N N N N N N 3.959  3.832  28.114 4.084  0.171  -1.142 H25 A1A24 75 
A1A24 H27 H24 H 0 1 N N N N N N 0.926  4.335  27.945 1.848  -0.805 -1.614 H27 A1A24 76 
A1A24 H26 H25 H 0 1 N N N N N N 1.865  4.047  29.449 1.989  -0.302 0.088  H26 A1A24 77 
A1A24 H29 H26 H 0 1 N N N N N N 3.523  4.220  24.279 6.342  -1.198 -0.619 H29 A1A24 78 
A1A24 H28 H27 H 0 1 N N N N N N 3.221  2.644  25.086 6.490  -1.403 1.143  H28 A1A24 79 
A1A24 H31 H28 H 0 1 N N N N N N 5.348  2.541  23.287 8.147  0.579  -0.444 H31 A1A24 80 
A1A24 H30 H29 H 0 1 N N N N N N 4.955  1.353  24.577 7.892  1.979  0.625  H30 A1A24 81 
A1A24 H33 H30 H 0 1 N N N N N N 7.242  0.967  26.405 9.892  -0.963 0.614  H33 A1A24 82 
A1A24 H34 H31 H 0 1 N N N N N N 9.878  1.263  23.164 8.804  -0.740 4.666  H34 A1A24 83 
A1A24 H35 H32 H 0 1 N N N N N N 6.443  6.525  22.063 5.708  1.609  -4.008 H35 A1A24 84 
A1A24 H36 H33 H 0 1 N N N N N N 8.474  6.770  25.859 3.184  3.677  -1.256 H36 A1A24 85 
A1A24 H37 H34 H 0 1 N N N N N N 7.051  4.776  26.669 4.235  2.470  0.615  H37 A1A24 86 
A1A24 H3  H35 H 0 1 N N N N N N 4.244  8.290  22.645 -4.099 1.885  -3.641 H3  A1A24 87 
A1A24 H39 H36 H 0 1 N N N N N N 0.427  6.851  28.241 0.394  -3.272 0.711  H39 A1A24 88 
A1A24 H32 H39 H 0 1 N N N N N N 5.463  3.667  27.183 4.694  0.943  1.807  H32 A1A24 89 
# 
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 
A1A24 F1  C33 SING N N 1  
A1A24 O2  C15 SING N N 2  
A1A24 O2  C8  SING N N 3  
A1A24 C34 C33 DOUB Y N 4  
A1A24 C34 C35 SING Y N 5  
A1A24 O1  C11 DOUB N N 6  
A1A24 C9  C8  DOUB Y N 7  
A1A24 C9  C10 SING Y N 8  
A1A24 N9  C32 DOUB Y N 9  
A1A24 N9  N7  SING Y N 10 
A1A24 C15 C14 SING N N 11 
A1A24 C8  C7  SING Y N 12 
A1A24 C33 C30 SING Y N 13 
A1A24 F2  C35 SING N N 14 
A1A24 C10 C5  DOUB Y N 15 
A1A24 C32 N8  SING Y N 16 
A1A24 C14 N4  SING N N 17 
A1A24 C35 C36 DOUB Y N 18 
A1A24 N2  C12 SING N N 19 
A1A24 C7  N4  SING N N 20 
A1A24 C7  C6  DOUB Y N 21 
A1A24 C29 N7  SING N N 22 
A1A24 C29 C28 SING N N 23 
A1A24 C11 C12 SING N N 24 
A1A24 C11 N1  SING N N 25 
A1A24 N7  C31 SING Y N 26 
A1A24 N4  C16 SING N N 27 
A1A24 C5  C6  SING Y N 28 
A1A24 C5  N1  SING N N 29 
A1A24 C21 C16 DOUB Y N 30 
A1A24 C21 C20 SING Y N 31 
A1A24 C30 C28 SING N N 32 
A1A24 C30 C37 DOUB Y N 33 
A1A24 C12 N3  DOUB N N 34 
A1A24 N8  C31 DOUB Y N 35 
A1A24 N1  C4  SING N N 36 
A1A24 C16 C17 SING Y N 37 
A1A24 C20 C19 DOUB Y N 38 
A1A24 C27 C28 SING N N 39 
A1A24 C27 N6  SING N N 40 
A1A24 C36 C37 SING Y N 41 
A1A24 C28 O3  SING N N 42 
A1A24 N3  C3  SING N N 43 
A1A24 C17 C18 DOUB Y N 44 
A1A24 N6  C24 SING N N 45 
A1A24 N6  C25 SING N N 46 
A1A24 C4  C3  DOUB Y N 47 
A1A24 C4  C1  SING Y N 48 
A1A24 C19 C18 SING Y N 49 
A1A24 C24 C23 SING N N 50 
A1A24 C3  S1  SING Y N 51 
A1A24 C1  C2  DOUB Y N 52 
A1A24 C23 C22 SING N N 53 
A1A24 C25 C26 SING N N 54 
A1A24 S1  C2  SING Y N 55 
A1A24 C2  C13 SING N N 56 
A1A24 C26 C22 SING N N 57 
A1A24 C22 N5  SING N N 58 
A1A24 N5  C13 SING N N 59 
A1A24 C1  H1  SING N N 60 
A1A24 C6  H2  SING N N 61 
A1A24 N2  H6  SING N N 62 
A1A24 N2  H5  SING N N 63 
A1A24 C10 H4  SING N N 64 
A1A24 C13 H7  SING N N 65 
A1A24 C13 H8  SING N N 66 
A1A24 C14 H10 SING N N 67 
A1A24 C14 H9  SING N N 68 
A1A24 C15 H12 SING N N 69 
A1A24 C15 H11 SING N N 70 
A1A24 C17 H13 SING N N 71 
A1A24 C18 H14 SING N N 72 
A1A24 C19 H15 SING N N 73 
A1A24 C20 H16 SING N N 74 
A1A24 C21 H17 SING N N 75 
A1A24 C22 H19 SING N N 76 
A1A24 C23 H21 SING N N 77 
A1A24 C23 H20 SING N N 78 
A1A24 C24 H23 SING N N 79 
A1A24 C24 H22 SING N N 80 
A1A24 C25 H24 SING N N 81 
A1A24 C25 H25 SING N N 82 
A1A24 C26 H27 SING N N 83 
A1A24 C26 H26 SING N N 84 
A1A24 C27 H29 SING N N 85 
A1A24 C27 H28 SING N N 86 
A1A24 C29 H31 SING N N 87 
A1A24 C29 H30 SING N N 88 
A1A24 C31 H33 SING N N 89 
A1A24 C32 H34 SING N N 90 
A1A24 C34 H35 SING N N 91 
A1A24 C36 H36 SING N N 92 
A1A24 C37 H37 SING N N 93 
A1A24 C9  H3  SING N N 94 
A1A24 N5  H39 SING N N 95 
A1A24 O3  H32 SING N N 96 
# 
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 
A1A24 SMILES           ACDLabs              14.52 "Fc1ccc(c(F)c1)C(O)(Cn1cncn1)CN1CCC(CC1)NCc1cc2N(C(=O)C(N)=Nc2s1)c1ccc2OCCN(c3ccccc3)c2c1"                                                                                                                                                                          
A1A24 InChI            InChI                1.06  "InChI=1S/C37H37F2N9O3S/c38-24-6-8-29(30(39)16-24)37(50,21-46-23-41-22-43-46)20-45-12-10-25(11-13-45)42-19-28-18-32-35(52-28)44-34(40)36(49)48(32)27-7-9-33-31(17-27)47(14-15-51-33)26-4-2-1-3-5-26/h1-9,16-18,22-23,25,42,50H,10-15,19-21H2,(H2,40,44)/t37-/m1/s1" 
A1A24 InChIKey         InChI                1.06  PRCZCNBGHGABSD-DIPNUNPCSA-N                                                                                                                                                                                                                                         
A1A24 SMILES_CANONICAL CACTVS               3.385 "NC1=Nc2sc(CNC3CCN(CC3)C[C@@](O)(Cn4cncn4)c5ccc(F)cc5F)cc2N(C1=O)c6ccc7OCCN(c8ccccc8)c7c6"                                                                                                                                                                          
A1A24 SMILES           CACTVS               3.385 "NC1=Nc2sc(CNC3CCN(CC3)C[C](O)(Cn4cncn4)c5ccc(F)cc5F)cc2N(C1=O)c6ccc7OCCN(c8ccccc8)c7c6"                                                                                                                                                                            
A1A24 SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "c1ccc(cc1)N2CCOc3c2cc(cc3)N4c5cc(sc5N=C(C4=O)N)CNC6CCN(CC6)C[C@@](Cn7cncn7)(c8ccc(cc8F)F)O"                                                                                                                                                                        
A1A24 SMILES           "OpenEye OEToolkits" 2.0.7 "c1ccc(cc1)N2CCOc3c2cc(cc3)N4c5cc(sc5N=C(C4=O)N)CNC6CCN(CC6)CC(Cn7cncn7)(c8ccc(cc8F)F)O"                                                                                                                                                                            
# 
loop_
_pdbx_chem_comp_identifier.comp_id 
_pdbx_chem_comp_identifier.type 
_pdbx_chem_comp_identifier.program 
_pdbx_chem_comp_identifier.program_version 
_pdbx_chem_comp_identifier.identifier 
A1A24 "SYSTEMATIC NAME" ACDLabs              14.52 "(1P)-3-amino-6-[({1-[(2R)-2-(2,4-difluorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl]piperidin-4-yl}amino)methyl]-1-(4-phenyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)thieno[2,3-b]pyrazin-2(1H)-one" 
A1A24 "SYSTEMATIC NAME" "OpenEye OEToolkits" 2.0.7 "3-azanyl-6-[[[1-[(2~{R})-2-[2,4-bis(fluoranyl)phenyl]-2-oxidanyl-3-(1,2,4-triazol-1-yl)propyl]piperidin-4-yl]amino]methyl]-1-(4-phenyl-2,3-dihydro-1,4-benzoxazin-6-yl)thieno[2,3-b]pyrazin-2-one"     
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_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
A1A24 "Create component" 2024-08-22 RCSB 
A1A24 "Initial release"  2025-09-10 RCSB 
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