data_A1A28
# 
_chem_comp.id                                    A1A28 
_chem_comp.name                                  "(1P)-3-amino-N-{1-[(2R)-2-(2,4-difluorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl]piperidin-4-yl}-2-oxo-1-(4-phenyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,2-dihydrothieno[2,3-b]pyrazine-6-carboxamide" 
_chem_comp.type                                  non-polymer 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C37 H35 F2 N9 O4 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                        739.794 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     A1A28 
_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        9D9D 
_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 
A1A28 O1  O1  O 0 1 N N N N N N 0.391  -15.288 5.080  0.122   -0.389 -0.494 O1  A1A28 1  
A1A28 O4  O2  O 0 1 N N N N N N -4.253 -15.508 11.274 -7.427  1.155  0.753  O4  A1A28 2  
A1A28 N2  N1  N 0 1 N N N N N N 3.812  -20.092 3.409  3.984   3.505  2.279  N2  A1A28 3  
A1A28 N7  N2  N 0 1 Y N N N N N -6.793 -14.215 11.502 -9.278  0.669  -1.348 N7  A1A28 4  
A1A28 C1  C1  C 0 1 N N N N N N 4.485  -20.047 2.352  5.224   3.160  2.524  C1  A1A28 5  
A1A28 C3  C2  C 0 1 Y N N N N N 2.838  -17.837 2.929  3.517   1.396  1.282  C3  A1A28 6  
A1A28 C4  C3  C 0 1 Y N N N N N 1.819  -16.862 3.615  2.502   0.669  0.673  C4  A1A28 7  
A1A28 C5  C4  C 0 1 Y N N N N N 1.324  -17.358 4.771  1.312   1.311  0.563  C5  A1A28 8  
A1A28 C6  C5  C 0 1 N N N N N N 0.334  -16.380 5.503  0.103   0.742  -0.043 C6  A1A28 9  
A1A28 C21 C6  C 0 1 Y N N N N N 2.695  -16.533 -0.264 6.174   -0.442 0.110  C21 A1A28 10 
A1A28 C22 C7  C 0 1 N N N N N N -1.066 -17.521 7.516  -2.237  0.902  -0.706 C22 A1A28 11 
A1A28 C23 C8  C 0 1 N N N N N N -4.066 -14.793 8.960  -6.421  0.194  -1.224 C23 A1A28 12 
A1A28 C31 C9  C 0 1 Y N N N N N -6.130 -17.390 10.507 -6.468  -0.923 2.144  C31 A1A28 13 
A1A28 C32 C10 C 0 1 Y N N N N N -8.135 -14.309 11.226 -9.739  0.576  -2.608 C32 A1A28 14 
A1A28 C33 C11 C 0 1 Y N N N N N -7.861 -14.646 13.357 -9.923  2.643  -2.004 C33 A1A28 15 
A1A28 C34 C12 C 0 1 N N N N N N -2.532 -17.785 7.274  -3.135  2.033  -1.213 C34 A1A28 16 
A1A28 C35 C13 C 0 1 N N N N N N -3.527 -17.091 8.234  -4.422  1.436  -1.789 C35 A1A28 17 
A1A28 C36 C14 C 0 1 N N N N N N -1.842 -15.766 9.286  -4.289  -0.454 -0.278 C36 A1A28 18 
A1A28 C37 C15 C 0 1 N N N N N N -0.921 -17.011 8.934  -2.998  0.087  0.342  C37 A1A28 19 
A1A28 C10 C16 C 0 1 Y N N N N N 4.252  -14.203 0.421  5.157   -2.679 1.403  C10 A1A28 20 
A1A28 C11 C17 C 0 1 Y N N N N N 3.320  -14.174 -0.784 6.083   -2.834 0.383  C11 A1A28 21 
A1A28 C12 C18 C 0 1 N N N N N N 2.705  -13.025 -2.967 7.073   -4.250 -1.266 C12 A1A28 22 
A1A28 C13 C19 C 0 1 N N N N N N 1.843  -14.192 -3.038 8.159   -3.182 -1.460 C13 A1A28 23 
A1A28 C14 C20 C 0 1 Y N N N N N 0.750  -16.232 -2.469 7.832   -0.805 -2.159 C14 A1A28 24 
A1A28 C15 C21 C 0 1 Y N N N N N -0.320 -16.360 -1.713 9.094   -0.224 -2.119 C15 A1A28 25 
A1A28 C16 C22 C 0 1 Y N N N N N -1.347 -17.451 -2.023 9.400   0.819  -2.970 C16 A1A28 26 
A1A28 C17 C23 C 0 1 Y N N N N N -1.169 -18.253 -3.042 8.452   1.286  -3.862 C17 A1A28 27 
A1A28 C18 C24 C 0 1 Y N N N N N 0.068  -18.100 -3.922 7.195   0.711  -3.905 C18 A1A28 28 
A1A28 C19 C25 C 0 1 Y N N N N N 0.955  -17.162 -3.650 6.883   -0.333 -3.057 C19 A1A28 29 
A1A28 C2  C26 C 0 1 Y N N N N N 3.025  -19.156 3.790  3.122   2.668  1.673  C2  A1A28 30 
A1A28 C20 C27 C 0 1 Y N N N N N 2.579  -15.259 -1.115 6.590   -1.709 -0.265 C20 A1A28 31 
A1A28 C24 C28 C 0 1 N N R N N N -4.998 -15.190 10.145 -7.346  -0.040 -0.027 C24 A1A28 32 
A1A28 C25 C29 C 0 1 N N N N N N -5.746 -13.928 10.515 -8.741  -0.419 -0.527 C25 A1A28 33 
A1A28 C26 C30 C 0 1 Y N N N N N -6.038 -16.272 9.799  -6.796  -1.157 0.822  C26 A1A28 34 
A1A28 C27 C31 C 0 1 Y N N N N N -7.001 -16.067 8.621  -6.618  -2.418 0.276  C27 A1A28 35 
A1A28 C28 C32 C 0 1 Y N N N N N -7.897 -16.997 8.320  -6.113  -3.444 1.056  C28 A1A28 36 
A1A28 C29 C33 C 0 1 Y N N N N N -7.989 -18.282 9.146  -5.785  -3.208 2.380  C29 A1A28 37 
A1A28 C30 C34 C 0 1 Y N N N N N -7.171 -18.469 10.159 -5.958  -1.945 2.922  C30 A1A28 38 
A1A28 C7  C35 C 0 1 N N N N N N 4.511  -18.932 1.349  5.693   1.823  2.130  C7  A1A28 39 
A1A28 C8  C36 C 0 1 Y N N N N N 3.524  -16.552 0.781  5.251   -0.294 1.138  C8  A1A28 40 
A1A28 C9  C37 C 0 1 Y N N N N N 4.351  -15.304 1.158  4.745   -1.416 1.781  C9  A1A28 41 
A1A28 F1  F1  F 0 1 N N N N N N -6.959 -14.935 7.861  -6.939  -2.646 -1.016 F1  A1A28 42 
A1A28 F2  F2  F 0 1 N N N N N N -8.918 -19.229 8.831  -5.292  -4.209 3.142  F2  A1A28 43 
A1A28 N1  N3  N 0 1 N N N N N N 5.359  -21.154 1.999  6.085   4.046  3.149  N1  A1A28 44 
A1A28 N3  N4  N 0 1 N N N N N N -0.642 -16.423 6.629  -1.029  1.471  -0.101 N3  A1A28 45 
A1A28 N4  N5  N 0 1 N N N N N N 3.647  -17.753 1.636  4.832   0.985  1.524  N4  A1A28 46 
A1A28 N5  N6  N 0 1 N N N N N N 1.747  -15.200 -2.201 7.522   -1.864 -1.304 N5  A1A28 47 
A1A28 N6  N7  N 0 1 N N N N N N -3.046 -15.764 8.447  -5.114  0.666  -0.748 N6  A1A28 48 
A1A28 N8  N8  N 0 1 Y N N N N N -8.766 -14.563 12.314 -10.122 1.768  -2.989 N8  A1A28 49 
A1A28 N9  N9  N 0 1 Y N N N N N -6.574 -14.423 12.862 -9.407  2.018  -0.978 N9  A1A28 50 
A1A28 O2  O3  O 0 1 N N N N N N 5.285  -18.978 0.208  6.842   1.481  2.348  O2  A1A28 51 
A1A28 O3  O4  O 0 1 N N N N N N 3.244  -12.869 -1.592 6.488   -4.082 0.028  O3  A1A28 52 
A1A28 S1  S1  S 0 1 Y N N N N N 1.949  -18.779 5.077  1.430   2.921  1.250  S1  A1A28 53 
A1A28 H22 H1  H 0 1 N N N N N N -4.838 -15.747 11.983 -6.577  1.454  1.103  H22 A1A28 54 
A1A28 H3  H2  H 0 1 N N N N N N 1.543  -15.900 3.209  2.650   -0.338 0.312  H3  A1A28 55 
A1A28 H16 H3  H 0 1 N N N N N N 2.110  -17.407 -0.510 6.570   0.428  -0.393 H16 A1A28 56 
A1A28 H17 H4  H 0 1 N N N N N N -0.466 -18.429 7.357  -1.958  0.257  -1.539 H17 A1A28 57 
A1A28 H18 H5  H 0 1 N N N N N N -3.517 -13.894 9.276  -6.293  -0.739 -1.771 H18 A1A28 58 
A1A28 H19 H6  H 0 1 N N N N N N -4.721 -14.543 8.112  -6.861  0.944  -1.881 H19 A1A28 59 
A1A28 H25 H7  H 0 1 N N N N N N -5.463 -17.546 11.342 -6.607  0.060  2.569  H25 A1A28 60 
A1A28 H26 H8  H 0 1 N N N N N N -8.586 -14.189 10.252 -9.784  -0.324 -3.202 H26 A1A28 61 
A1A28 H27 H9  H 0 1 N N N N N N -8.110 -14.850 14.388 -10.150 3.698  -2.047 H27 A1A28 62 
A1A28 H28 H10 H 0 1 N N N N N N -2.767 -17.453 6.252  -3.382  2.701  -0.388 H28 A1A28 63 
A1A28 H29 H11 H 0 1 N N N N N N -2.693 -18.870 7.353  -2.614  2.592  -1.991 H29 A1A28 64 
A1A28 H31 H12 H 0 1 N N N N N N -3.571 -17.634 9.189  -5.070  2.240  -2.138 H31 A1A28 65 
A1A28 H30 H13 H 0 1 N N N N N N -4.529 -17.061 7.782  -4.176  0.780  -2.623 H30 A1A28 66 
A1A28 H32 H14 H 0 1 N N N N N N -1.278 -14.838 9.112  -4.043  -1.102 -1.120 H32 A1A28 67 
A1A28 H33 H15 H 0 1 N N N N N N -2.138 -15.822 10.344 -4.841  -1.023 0.470  H33 A1A28 68 
A1A28 H34 H16 H 0 1 N N N N N N -1.175 -17.831 9.621  -2.379  -0.746 0.676  H34 A1A28 69 
A1A28 H35 H17 H 0 1 N N N N N N 0.128  -16.716 9.087  -3.243  0.724  1.192  H35 A1A28 70 
A1A28 H6  H18 H 0 1 N N N N N N 4.832  -13.329 0.676  4.760   -3.548 1.907  H6  A1A28 71 
A1A28 H7  H19 H 0 1 N N N N N N 2.126  -12.129 -3.234 6.306   -4.133 -2.032 H7  A1A28 72 
A1A28 H8  H20 H 0 1 N N N N N N 3.540  -13.146 -3.673 7.517   -5.242 -1.343 H8  A1A28 73 
A1A28 H9  H21 H 0 1 N N N N N N 0.825  -13.778 -3.085 8.939   -3.308 -0.709 H9  A1A28 74 
A1A28 H10 H22 H 0 1 N N N N N N 2.094  -14.659 -4.002 8.589   -3.269 -2.458 H10 A1A28 75 
A1A28 H11 H23 H 0 1 N N N N N N -0.473 -15.696 -0.875 9.835   -0.588 -1.422 H11 A1A28 76 
A1A28 H12 H24 H 0 1 N N N N N N -2.222 -17.560 -1.399 10.380  1.271  -2.940 H12 A1A28 77 
A1A28 H13 H25 H 0 1 N N N N N N -1.896 -19.021 -3.259 8.693   2.103  -4.527 H13 A1A28 78 
A1A28 H14 H26 H 0 1 N N N N N N 0.217  -18.758 -4.765 6.457   1.079  -4.602 H14 A1A28 79 
A1A28 H15 H27 H 0 1 N N N N N N 1.832  -17.056 -4.271 5.901   -0.782 -3.091 H15 A1A28 80 
A1A28 H21 H28 H 0 1 N N N N N N -5.039 -13.201 10.940 -9.399  -0.589 0.325  H21 A1A28 81 
A1A28 H20 H29 H 0 1 N N N N N N -6.208 -13.504 9.611  -8.678  -1.328 -1.125 H20 A1A28 82 
A1A28 H23 H30 H 0 1 N N N N N N -8.567 -16.847 7.486  -5.974  -4.427 0.632  H23 A1A28 83 
A1A28 H24 H31 H 0 1 N N N N N N -7.230 -19.375 10.744 -5.702  -1.762 3.955  H24 A1A28 84 
A1A28 H5  H32 H 0 1 N N N N N N 5.006  -15.326 2.016  4.026   -1.300 2.579  H5  A1A28 85 
A1A28 H1  H33 H 0 1 N N N N N N 5.423  -21.951 2.599  5.771   4.926  3.407  H1  A1A28 86 
A1A28 H2  H34 H 0 1 N N N N N N 5.896  -21.118 1.156  7.002   3.786  3.329  H2  A1A28 87 
A1A28 H4  H35 H 0 1 N N N N N N -1.090 -15.549 6.816  -1.045  2.372  0.258  H4  A1A28 88 
# 
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 
A1A28 N1  C1  SING N N 1  
A1A28 C1  N2  DOUB N N 2  
A1A28 C1  C7  SING N N 3  
A1A28 N2  C2  SING N N 4  
A1A28 C2  C3  DOUB Y N 5  
A1A28 C2  S1  SING Y N 6  
A1A28 C3  C4  SING Y N 7  
A1A28 C3  N4  SING N N 8  
A1A28 C4  C5  DOUB Y N 9  
A1A28 C5  S1  SING Y N 10 
A1A28 C5  C6  SING N N 11 
A1A28 C6  N3  SING N N 12 
A1A28 C6  O1  DOUB N N 13 
A1A28 N3  C22 SING N N 14 
A1A28 N4  C7  SING N N 15 
A1A28 N4  C8  SING N N 16 
A1A28 C7  O2  DOUB N N 17 
A1A28 C8  C9  DOUB Y N 18 
A1A28 C8  C21 SING Y N 19 
A1A28 C9  C10 SING Y N 20 
A1A28 C10 C11 DOUB Y N 21 
A1A28 C11 O3  SING N N 22 
A1A28 C11 C20 SING Y N 23 
A1A28 O3  C12 SING N N 24 
A1A28 C12 C13 SING N N 25 
A1A28 C13 N5  SING N N 26 
A1A28 N5  C14 SING N N 27 
A1A28 N5  C20 SING N N 28 
A1A28 C14 C15 DOUB Y N 29 
A1A28 C14 C19 SING Y N 30 
A1A28 C15 C16 SING Y N 31 
A1A28 C16 C17 DOUB Y N 32 
A1A28 C17 C18 SING Y N 33 
A1A28 C18 C19 DOUB Y N 34 
A1A28 C20 C21 DOUB Y N 35 
A1A28 C22 C34 SING N N 36 
A1A28 C22 C37 SING N N 37 
A1A28 N6  C23 SING N N 38 
A1A28 N6  C35 SING N N 39 
A1A28 N6  C36 SING N N 40 
A1A28 C23 C24 SING N N 41 
A1A28 C24 C25 SING N N 42 
A1A28 C24 O4  SING N N 43 
A1A28 C24 C26 SING N N 44 
A1A28 C25 N7  SING N N 45 
A1A28 C26 C27 DOUB Y N 46 
A1A28 C26 C31 SING Y N 47 
A1A28 N7  C32 SING Y N 48 
A1A28 N7  N9  SING Y N 49 
A1A28 C27 C28 SING Y N 50 
A1A28 C27 F1  SING N N 51 
A1A28 C28 C29 DOUB Y N 52 
A1A28 C29 C30 SING Y N 53 
A1A28 C29 F2  SING N N 54 
A1A28 C30 C31 DOUB Y N 55 
A1A28 C32 N8  DOUB Y N 56 
A1A28 N8  C33 SING Y N 57 
A1A28 C33 N9  DOUB Y N 58 
A1A28 C34 C35 SING N N 59 
A1A28 C36 C37 SING N N 60 
A1A28 O4  H22 SING N N 61 
A1A28 C4  H3  SING N N 62 
A1A28 C21 H16 SING N N 63 
A1A28 C22 H17 SING N N 64 
A1A28 C23 H18 SING N N 65 
A1A28 C23 H19 SING N N 66 
A1A28 C31 H25 SING N N 67 
A1A28 C32 H26 SING N N 68 
A1A28 C33 H27 SING N N 69 
A1A28 C34 H28 SING N N 70 
A1A28 C34 H29 SING N N 71 
A1A28 C35 H31 SING N N 72 
A1A28 C35 H30 SING N N 73 
A1A28 C36 H32 SING N N 74 
A1A28 C36 H33 SING N N 75 
A1A28 C37 H34 SING N N 76 
A1A28 C37 H35 SING N N 77 
A1A28 C10 H6  SING N N 78 
A1A28 C12 H7  SING N N 79 
A1A28 C12 H8  SING N N 80 
A1A28 C13 H9  SING N N 81 
A1A28 C13 H10 SING N N 82 
A1A28 C15 H11 SING N N 83 
A1A28 C16 H12 SING N N 84 
A1A28 C17 H13 SING N N 85 
A1A28 C18 H14 SING N N 86 
A1A28 C19 H15 SING N N 87 
A1A28 C25 H21 SING N N 88 
A1A28 C25 H20 SING N N 89 
A1A28 C28 H23 SING N N 90 
A1A28 C30 H24 SING N N 91 
A1A28 C9  H5  SING N N 92 
A1A28 N1  H1  SING N N 93 
A1A28 N1  H2  SING N N 94 
A1A28 N3  H4  SING N N 95 
# 
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 
A1A28 SMILES           ACDLabs              14.52 "Fc1ccc(c(F)c1)C(O)(Cn1cncn1)CN1CCC(CC1)NC(=O)c1cc2N(C(=O)C(N)=Nc2s1)c1ccc2OCCN(c3ccccc3)c2c1"                                                                                                                                                                               
A1A28 InChI            InChI                1.06  "InChI=1S/C37H35F2N9O4S/c38-23-6-8-27(28(39)16-23)37(51,20-46-22-41-21-42-46)19-45-12-10-24(11-13-45)43-34(49)32-18-30-35(53-32)44-33(40)36(50)48(30)26-7-9-31-29(17-26)47(14-15-52-31)25-4-2-1-3-5-25/h1-9,16-18,21-22,24,51H,10-15,19-20H2,(H2,40,44)(H,43,49)/t37-/m1/s1" 
A1A28 InChIKey         InChI                1.06  LAWFFQRHZBSHCM-DIPNUNPCSA-N                                                                                                                                                                                                                                                  
A1A28 SMILES_CANONICAL CACTVS               3.385 "NC1=Nc2sc(cc2N(C1=O)c3ccc4OCCN(c5ccccc5)c4c3)C(=O)NC6CCN(CC6)C[C@@](O)(Cn7cncn7)c8ccc(F)cc8F"                                                                                                                                                                               
A1A28 SMILES           CACTVS               3.385 "NC1=Nc2sc(cc2N(C1=O)c3ccc4OCCN(c5ccccc5)c4c3)C(=O)NC6CCN(CC6)C[C](O)(Cn7cncn7)c8ccc(F)cc8F"                                                                                                                                                                                 
A1A28 SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "c1ccc(cc1)N2CCOc3c2cc(cc3)N4c5cc(sc5N=C(C4=O)N)C(=O)NC6CCN(CC6)C[C@@](Cn7cncn7)(c8ccc(cc8F)F)O"                                                                                                                                                                             
A1A28 SMILES           "OpenEye OEToolkits" 2.0.7 "c1ccc(cc1)N2CCOc3c2cc(cc3)N4c5cc(sc5N=C(C4=O)N)C(=O)NC6CCN(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 
A1A28 "SYSTEMATIC NAME" ACDLabs              14.52 "(1P)-3-amino-N-{1-[(2R)-2-(2,4-difluorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl]piperidin-4-yl}-2-oxo-1-(4-phenyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,2-dihydrothieno[2,3-b]pyrazine-6-carboxamide"  
A1A28 "SYSTEMATIC NAME" "OpenEye OEToolkits" 2.0.7 "3-azanyl-~{N}-[1-[(2~{R})-2-[2,4-bis(fluoranyl)phenyl]-2-oxidanyl-3-(1,2,4-triazol-1-yl)propyl]piperidin-4-yl]-2-oxidanylidene-1-(4-phenyl-2,3-dihydro-1,4-benzoxazin-6-yl)thieno[2,3-b]pyrazine-6-carboxamide" 
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loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
A1A28 "Create component" 2024-08-22 RCSB 
A1A28 "Initial release"  2025-09-10 RCSB 
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