data_A1EJR
# 
_chem_comp.id                                    A1EJR 
_chem_comp.name                                  "(2S)-2-azanyl-6-[6-[[(2R)-1-[4-[2-[3-bromanyl-2-(2-hydroxy-2-oxoethyloxy)-5-methyl-phenyl]ethynyl]phenyl]-4-(methylamino)-4-oxidanylidene-butan-2-yl]carbamoyl]-3-oxidanylidene-1H-indazol-2-yl]hexanoic acid" 
_chem_comp.type                                  "L-peptide linking" 
_chem_comp.pdbx_type                             ATOMP 
_chem_comp.formula                               "C36 H38 Br N5 O8" 
_chem_comp.mon_nstd_parent_comp_id               LYS 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2025-01-17 
_chem_comp.pdbx_modified_date                    2025-05-09 
_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                        748.620 
_chem_comp.one_letter_code                       K 
_chem_comp.three_letter_code                     A1EJR 
_chem_comp.pdbx_model_coordinates_details        ? 
_chem_comp.pdbx_model_coordinates_missing_flag   Y 
_chem_comp.pdbx_ideal_coordinates_details        Corina 
_chem_comp.pdbx_ideal_coordinates_missing_flag   N 
_chem_comp.pdbx_model_coordinates_db_code        9LG2 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  PDBC 
_chem_comp.pdbx_pcm                              Y 
# 
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 
A1EJR C10  C1  C  0 1 Y N N N N N 37.290 27.001 34.336 2.385  4.150  0.761  C10  A1EJR 1  
A1EJR C13  C2  C  0 1 N N N N N N 37.694 29.584 31.583 2.708  0.465  1.069  C13  A1EJR 2  
A1EJR C15  C3  C  0 1 Y N N N N N 37.300 31.497 29.608 3.624  -1.961 0.807  C15  A1EJR 3  
A1EJR C04  C4  C  0 1 N N N N N N 38.438 22.781 35.620 -0.708 7.547  0.579  C04  A1EJR 4  
A1EJR C05  C5  C  0 1 N N R N N N 37.999 24.078 34.897 -0.267 6.084  0.497  C05  A1EJR 5  
A1EJR C06  C6  C  0 1 N N N N N N 38.804 25.298 35.369 0.701  5.778  1.642  C06  A1EJR 6  
A1EJR C07  C7  C  0 1 Y N N N N N 38.543 26.439 34.371 1.231  4.376  1.490  C07  A1EJR 7  
A1EJR C08  C8  C  0 1 Y N N N N N 39.545 26.868 33.481 0.561  3.319  2.081  C08  A1EJR 8  
A1EJR C09  C9  C  0 1 Y N N N N N 39.269 27.876 32.587 1.040  2.033  1.947  C09  A1EJR 9  
A1EJR C11  C10 C  0 1 Y N N N N N 37.014 28.022 33.430 2.873  2.869  0.614  C11  A1EJR 10 
A1EJR C12  C11 C  0 1 Y N N N N N 38.003 28.456 32.566 2.205  1.797  1.212  C12  A1EJR 11 
A1EJR C19  C12 C  0 1 N N N N N N 41.267 29.586 29.394 7.083  0.595  -0.537 C19  A1EJR 12 
A1EJR C01  C13 C  0 1 N N N N N N 37.092 19.283 34.400 -2.849 9.465  -1.949 C01  A1EJR 13 
A1EJR C03  C14 C  0 1 N N N N N N 37.452 21.610 35.279 -1.550 7.886  -0.624 C03  A1EJR 14 
A1EJR C14  C15 C  0 1 N N N N N N 37.495 30.430 30.761 3.121  -0.628 0.951  C14  A1EJR 15 
A1EJR C16  C16 C  0 1 Y N N N N N 38.411 31.879 28.916 4.793  -2.198 0.070  C16  A1EJR 16 
A1EJR C18  C17 C  0 1 N N N N N N 39.995 30.075 28.717 6.465  -0.520 0.266  C18  A1EJR 17 
A1EJR C22  C18 C  0 1 Y N N N N N 38.303 32.833 27.905 5.271  -3.491 -0.063 C22  A1EJR 18 
A1EJR C24  C19 C  0 1 Y N N N N N 37.076 33.371 27.591 4.597  -4.544 0.529  C24  A1EJR 19 
A1EJR C25  C20 C  0 1 Y N N N N N 35.957 32.977 28.284 3.442  -4.315 1.258  C25  A1EJR 20 
A1EJR C26  C21 C  0 1 N N N N N N 34.555 33.597 27.927 2.718  -5.470 1.899  C26  A1EJR 21 
A1EJR C27  C22 C  0 1 Y N N N N N 36.061 32.032 29.291 2.956  -3.033 1.406  C27  A1EJR 22 
A1EJR C29  C23 C  0 1 N N N N N N 37.108 23.778 32.536 -1.577 4.162  -0.228 C29  A1EJR 23 
A1EJR C30  C24 C  0 1 Y N N N N N 37.500 23.671 30.994 -2.703 3.217  -0.049 C30  A1EJR 24 
A1EJR C31  C25 C  0 1 Y N N N N N 37.932 24.826 30.378 -2.842 2.132  -0.910 C31  A1EJR 25 
A1EJR C32  C26 C  0 1 Y N N N N N 38.285 24.777 29.027 -3.896 1.247  -0.741 C32  A1EJR 26 
A1EJR CE   C27 C  0 1 N N N N N N 39.512 25.871 25.470 -6.152 -1.620 -1.274 CE   A1EJR 27 
A1EJR CD   C28 C  0 1 N N N N N N 41.078 26.225 25.684 -5.677 -2.824 -0.457 CD   A1EJR 28 
A1EJR CG   C29 C  0 1 N N N N N N 41.460 27.601 25.050 -6.418 -4.079 -0.921 CG   A1EJR 29 
A1EJR CB   C30 C  0 1 N N N N N N 42.882 27.606 24.496 -5.943 -5.283 -0.104 CB   A1EJR 30 
A1EJR CA   C31 C  0 1 N N S N Y N 43.067 28.603 23.319 -6.684 -6.538 -0.568 CA   A1EJR 31 
A1EJR C    C32 C  0 1 N N N N Y Y 44.418 29.266 23.477 -6.130 -7.742 0.149  C    A1EJR 32 
A1EJR C43  C33 C  0 1 Y N N N N N 38.228 23.594 28.295 -4.817 1.454  0.300  C43  A1EJR 33 
A1EJR C44  C34 C  0 1 Y N N N N N 37.801 22.427 28.926 -4.671 2.542  1.158  C44  A1EJR 34 
A1EJR C45  C35 C  0 1 Y N N N N N 37.439 22.458 30.273 -3.618 3.414  0.988  C45  A1EJR 35 
A1EJR C46  C36 C  0 1 N N N N N N 38.664 23.913 26.947 -5.804 0.360  0.210  C46  A1EJR 36 
A1EJR N02  N1  N  0 1 N N N N N N 37.985 20.396 34.712 -2.031 9.135  -0.779 N02  A1EJR 37 
A1EJR N28  N2  N  0 1 N N N N N N 38.224 23.946 33.479 -1.440 5.213  0.604  N28  A1EJR 38 
A1EJR N33  N3  N  0 1 N N N N N N 38.831 25.841 27.970 -4.288 0.104  -1.421 N33  A1EJR 39 
A1EJR NZ   N4  N  0 1 N N N N N N 39.009 25.202 26.701 -5.443 -0.418 -0.830 NZ   A1EJR 40 
A1EJR N    N5  N  0 1 N N N Y Y N 42.994 27.898 22.052 -8.115 -6.403 -0.264 N    A1EJR 41 
A1EJR O17  O1  O  0 1 N N N N N N 39.682 31.325 29.261 5.453  -1.163 -0.512 O17  A1EJR 42 
A1EJR O20  O2  O  0 1 N N N N N N 41.796 30.287 30.306 8.063  1.343  -0.005 O20  A1EJR 43 
A1EJR O21  O3  O  0 1 N N N N N N 41.780 28.481 29.040 6.698  0.816  -1.661 O21  A1EJR 44 
A1EJR O    O4  O  0 1 N N N N Y Y 44.479 30.461 23.551 -6.716 -8.202 1.100  O    A1EJR 45 
A1EJR O47  O5  O  0 1 N N N N N N 38.710 23.080 26.117 -6.763 0.192  0.938  O47  A1EJR 46 
A1EJR O48  O6  O  0 1 N N N N N N 35.974 23.725 32.889 -0.776 3.989  -1.126 O48  A1EJR 47 
A1EJR O49  O7  O  0 1 N N N N N N 36.260 21.737 35.475 -1.794 7.034  -1.452 O49  A1EJR 48 
A1EJR BR23 BR1 BR 0 0 N N N N N N 39.930 33.398 26.914 6.847  -3.818 -1.055 BR23 A1EJR 49 
A1EJR H101 H1  H  0 0 N N N N N N 36.521 26.652 35.009 2.903  4.980  0.302  H101 A1EJR 50 
A1EJR H042 H2  H  0 0 N N N N N N 39.452 22.509 35.293 -1.293 7.699  1.486  H042 A1EJR 51 
A1EJR H041 H3  H  0 0 N N N N N N 38.436 22.952 36.707 0.171  8.191  0.601  H041 A1EJR 52 
A1EJR H051 H4  H  0 0 N N N N N N 36.932 24.253 35.099 0.231  5.908  -0.457 H051 A1EJR 53 
A1EJR H062 H5  H  0 0 N N N N N N 39.877 25.055 35.389 1.531  6.485  1.614  H062 A1EJR 54 
A1EJR H061 H6  H  0 0 N N N N N N 38.477 25.597 36.376 0.178  5.868  2.594  H061 A1EJR 55 
A1EJR H081 H7  H  0 0 N N N N N N 40.523 26.409 33.500 -0.339 3.502  2.649  H081 A1EJR 56 
A1EJR H091 H8  H  0 0 N N N N N N 40.032 28.217 31.903 0.516  1.209  2.409  H091 A1EJR 57 
A1EJR H111 H9  H  0 0 N N N N N N 36.033 28.473 33.402 3.774  2.694  0.044  H111 A1EJR 58 
A1EJR H013 H10 H  0 0 N N N N N N 37.675 18.451 33.979 -2.272 9.290  -2.857 H013 A1EJR 59 
A1EJR H011 H11 H  0 0 N N N N N N 36.588 18.949 35.319 -3.740 8.837  -1.958 H011 A1EJR 60 
A1EJR H012 H12 H  0 0 N N N N N N 36.340 19.611 33.668 -3.144 10.513 -1.902 H012 A1EJR 61 
A1EJR H181 H13 H  0 0 N N N N N N 39.174 29.368 28.905 7.234  -1.245 0.534  H181 A1EJR 62 
A1EJR H182 H14 H  0 0 N N N N N N 40.158 30.168 27.633 6.020  -0.110 1.173  H182 A1EJR 63 
A1EJR H241 H15 H  0 0 N N N N N N 36.993 34.102 26.801 4.973  -5.551 0.423  H241 A1EJR 64 
A1EJR H261 H16 H  0 0 N N N N N N 34.069 32.985 27.153 3.105  -5.629 2.905  H261 A1EJR 65 
A1EJR H263 H17 H  0 0 N N N N N N 33.924 33.618 28.827 1.652  -5.247 1.950  H263 A1EJR 66 
A1EJR H262 H18 H  0 0 N N N N N N 34.692 34.622 27.551 2.872  -6.371 1.304  H262 A1EJR 67 
A1EJR H271 H19 H  0 0 N N N N N N 35.180 31.713 29.828 2.055  -2.858 1.975  H271 A1EJR 68 
A1EJR H311 H20 H  0 0 N N N N N N 37.996 25.752 30.930 -2.130 1.979  -1.709 H311 A1EJR 69 
A1EJR HE2  H21 H  0 1 N N N N N N 38.943 26.795 25.291 -5.947 -1.794 -2.330 HE2  A1EJR 70 
A1EJR HE3  H22 H  0 1 N N N N N N 39.398 25.197 24.608 -7.224 -1.484 -1.130 HE3  A1EJR 71 
A1EJR HD3  H23 H  0 1 N N N N N N 41.687 25.437 25.216 -4.606 -2.960 -0.601 HD3  A1EJR 72 
A1EJR HD2  H24 H  0 1 N N N N N N 41.290 26.260 26.763 -5.883 -2.650 0.599  HD2  A1EJR 73 
A1EJR HG3  H25 H  0 1 N N N N N N 41.378 28.381 25.821 -7.490 -3.943 -0.777 HG3  A1EJR 74 
A1EJR HG2  H26 H  0 1 N N N N N N 40.760 27.820 24.230 -6.213 -4.253 -1.977 HG2  A1EJR 75 
A1EJR HB2  H27 H  0 1 N N N N N N 43.124 26.594 24.140 -4.871 -5.419 -0.248 HB2  A1EJR 76 
A1EJR HB3  H28 H  0 1 N N N N N N 43.573 27.885 25.305 -6.149 -5.109 0.952  HB3  A1EJR 77 
A1EJR HA   H29 H  0 1 N N N N Y N 42.278 29.367 23.374 -6.551 -6.663 -1.643 HA   A1EJR 78 
A1EJR H441 H31 H  0 0 N N N N N N 37.750 21.501 28.373 -5.379 2.699  1.957  H441 A1EJR 79 
A1EJR H451 H32 H  0 0 N N N N N N 37.112 21.554 30.765 -3.505 4.258  1.653  H451 A1EJR 80 
A1EJR H021 H33 H  0 0 N N N N N N 38.966 20.316 34.532 -1.835 9.816  -0.117 H021 A1EJR 81 
A1EJR H281 H34 H  0 0 N N N N N N 39.160 23.969 33.129 -2.118 5.393  1.274  H281 A1EJR 82 
A1EJR H331 H35 H  0 0 N N N N N N 39.707 26.206 28.286 -3.832 -0.275 -2.189 H331 A1EJR 83 
A1EJR H2   H36 H  0 1 N N N Y Y N 42.097 27.466 21.962 -8.265 -6.286 0.726  H2   A1EJR 84 
A1EJR H    H37 H  0 1 N N N Y Y N 43.129 28.546 21.302 -8.524 -5.641 -0.784 H    A1EJR 85 
A1EJR H5   H39 H  0 1 N N N N N N 42.575 29.850 30.630 8.429  2.046  -0.559 H5   A1EJR 86 
A1EJR OXT  OXT O  0 1 N N N N Y Y ?      ?      ?      -4.985 -8.304 -0.268 OXT  A1EJR 87 
A1EJR HXT  HXT H  0 1 N N N N Y Y ?      ?      ?      -4.669 -9.075 0.223  HXT  A1EJR 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 
A1EJR N    CA   SING N N 1  
A1EJR CA   C    SING N N 2  
A1EJR CA   CB   SING N N 3  
A1EJR C    O    DOUB N N 4  
A1EJR CB   CG   SING N N 5  
A1EJR CG   CD   SING N N 6  
A1EJR CE   CD   SING N N 7  
A1EJR CE   NZ   SING N N 8  
A1EJR O47  C46  DOUB N N 9  
A1EJR NZ   C46  SING N N 10 
A1EJR NZ   N33  SING N N 11 
A1EJR BR23 C22  SING N N 12 
A1EJR C46  C43  SING N N 13 
A1EJR C24  C22  DOUB Y N 14 
A1EJR C24  C25  SING Y N 15 
A1EJR C22  C16  SING Y N 16 
A1EJR C26  C25  SING N N 17 
A1EJR N33  C32  SING N N 18 
A1EJR C25  C27  DOUB Y N 19 
A1EJR C43  C44  DOUB Y N 20 
A1EJR C43  C32  SING Y N 21 
A1EJR C18  O17  SING N N 22 
A1EJR C18  C19  SING N N 23 
A1EJR C16  O17  SING N N 24 
A1EJR C16  C15  DOUB Y N 25 
A1EJR C44  C45  SING Y N 26 
A1EJR C32  C31  DOUB Y N 27 
A1EJR O21  C19  DOUB N N 28 
A1EJR C27  C15  SING Y N 29 
A1EJR C19  O20  SING N N 30 
A1EJR C15  C14  SING N N 31 
A1EJR C45  C30  DOUB Y N 32 
A1EJR C31  C30  SING Y N 33 
A1EJR C14  C13  TRIP N N 34 
A1EJR C30  C29  SING N N 35 
A1EJR C13  C12  SING N N 36 
A1EJR C29  O48  DOUB N N 37 
A1EJR C29  N28  SING N N 38 
A1EJR C12  C09  DOUB Y N 39 
A1EJR C12  C11  SING Y N 40 
A1EJR C09  C08  SING Y N 41 
A1EJR C11  C10  DOUB Y N 42 
A1EJR N28  C05  SING N N 43 
A1EJR C08  C07  DOUB Y N 44 
A1EJR C10  C07  SING Y N 45 
A1EJR C07  C06  SING N N 46 
A1EJR C01  N02  SING N N 47 
A1EJR N02  C03  SING N N 48 
A1EJR C05  C06  SING N N 49 
A1EJR C05  C04  SING N N 50 
A1EJR C03  O49  DOUB N N 51 
A1EJR C03  C04  SING N N 52 
A1EJR C10  H101 SING N N 53 
A1EJR C04  H042 SING N N 54 
A1EJR C04  H041 SING N N 55 
A1EJR C05  H051 SING N N 56 
A1EJR C06  H062 SING N N 57 
A1EJR C06  H061 SING N N 58 
A1EJR C08  H081 SING N N 59 
A1EJR C09  H091 SING N N 60 
A1EJR C11  H111 SING N N 61 
A1EJR C01  H013 SING N N 62 
A1EJR C01  H011 SING N N 63 
A1EJR C01  H012 SING N N 64 
A1EJR C18  H181 SING N N 65 
A1EJR C18  H182 SING N N 66 
A1EJR C24  H241 SING N N 67 
A1EJR C26  H261 SING N N 68 
A1EJR C26  H263 SING N N 69 
A1EJR C26  H262 SING N N 70 
A1EJR C27  H271 SING N N 71 
A1EJR C31  H311 SING N N 72 
A1EJR CE   HE2  SING N N 73 
A1EJR CE   HE3  SING N N 74 
A1EJR CD   HD3  SING N N 75 
A1EJR CD   HD2  SING N N 76 
A1EJR CG   HG3  SING N N 77 
A1EJR CG   HG2  SING N N 78 
A1EJR CB   HB2  SING N N 79 
A1EJR CB   HB3  SING N N 80 
A1EJR CA   HA   SING N N 81 
A1EJR C44  H441 SING N N 82 
A1EJR C45  H451 SING N N 83 
A1EJR N02  H021 SING N N 84 
A1EJR N28  H281 SING N N 85 
A1EJR N33  H331 SING N N 86 
A1EJR N    H2   SING N N 87 
A1EJR N    H    SING N N 88 
A1EJR O20  H5   SING N N 89 
A1EJR C    OXT  SING N N 90 
A1EJR OXT  HXT  SING N N 91 
# 
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 
A1EJR InChI            InChI                1.06  "InChI=1S/C36H38BrN5O8/c1-21-15-24(33(28(37)16-21)50-20-32(44)45)11-10-22-6-8-23(9-7-22)17-26(19-31(43)39-2)40-34(46)25-12-13-27-30(18-25)41-42(35(27)47)14-4-3-5-29(38)36(48)49/h6-9,12-13,15-16,18,26,29,41H,3-5,14,17,19-20,38H2,1-2H3,(H,39,43)(H,40,46)(H,44,45)(H,48,49)/t26-,29+/m1/s1" 
A1EJR InChIKey         InChI                1.06  MYHCFJZZMJPMDZ-UHSQPCAPSA-N                                                                                                                                                                                                                                                                    
A1EJR SMILES_CANONICAL CACTVS               3.385 "CNC(=O)C[C@@H](Cc1ccc(cc1)C#Cc2cc(C)cc(Br)c2OCC(O)=O)NC(=O)c3ccc4c(NN(CCCC[C@H](N)C(O)=O)C4=O)c3"                                                                                                                                                                                             
A1EJR SMILES           CACTVS               3.385 "CNC(=O)C[CH](Cc1ccc(cc1)C#Cc2cc(C)cc(Br)c2OCC(O)=O)NC(=O)c3ccc4c(NN(CCCC[CH](N)C(O)=O)C4=O)c3"                                                                                                                                                                                                
A1EJR SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "Cc1cc(c(c(c1)Br)OCC(=O)O)C#Cc2ccc(cc2)C[C@H](CC(=O)NC)NC(=O)c3ccc4c(c3)NN(C4=O)CCCC[C@@H](C(=O)O)N"                                                                                                                                                                                           
A1EJR SMILES           "OpenEye OEToolkits" 2.0.7 "Cc1cc(c(c(c1)Br)OCC(=O)O)C#Cc2ccc(cc2)CC(CC(=O)NC)NC(=O)c3ccc4c(c3)NN(C4=O)CCCCC(C(=O)O)N"                                                                                                                                                                                                    
# 
_pdbx_chem_comp_identifier.comp_id           A1EJR 
_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        "(2~{S})-2-azanyl-6-[6-[[(2~{R})-1-[4-[2-[3-bromanyl-2-(2-hydroxy-2-oxoethyloxy)-5-methyl-phenyl]ethynyl]phenyl]-4-(methylamino)-4-oxidanylidene-butan-2-yl]carbamoyl]-3-oxidanylidene-1~{H}-indazol-2-yl]hexanoic acid" 
# 
_pdbx_chem_comp_pcm.pcm_id                             1 
_pdbx_chem_comp_pcm.comp_id                            A1EJR 
_pdbx_chem_comp_pcm.modified_residue_id                LYS 
_pdbx_chem_comp_pcm.type                               None 
_pdbx_chem_comp_pcm.category                           "Non-standard residue" 
_pdbx_chem_comp_pcm.position                           "Amino-acid side chain" 
_pdbx_chem_comp_pcm.polypeptide_position               "Any position" 
_pdbx_chem_comp_pcm.comp_id_linking_atom               ? 
_pdbx_chem_comp_pcm.modified_residue_id_linking_atom   ? 
_pdbx_chem_comp_pcm.uniprot_specific_ptm_accession     ? 
_pdbx_chem_comp_pcm.uniprot_generic_ptm_accession      ? 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
A1EJR "Create component" 2025-01-17 PDBC 
A1EJR "Initial release"  2025-05-14 RCSB 
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