data_A1I89
# 
_chem_comp.id                                    A1I89 
_chem_comp.name                                  "(4~{R})-4-[[(1~{S},5~{R})-3-[7-(8-ethynyl-7-fluoranyl-3-oxidanyl-naphthalen-1-yl)-8-fluoranyl-2-[[(2~{R},8~{S})-2-fluoranyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]carbonyl]-3,3-dimethyl-oxetan-2-one" 
_chem_comp.type                                  non-polymer 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C39 H37 F3 N6 O5" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2025-04-01 
_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                        726.743 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     A1I89 
_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        9QPZ 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  PDBE 
_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 
A1I89 C1  C1  C 0 1 N N N N N N 20.047 2.342  -21.286 -2.923 -1.164 -1.961 C1  A1I89 1  
A1I89 O2  O1  O 0 1 N N N N N N 16.933 3.954  -27.936 -7.165 -1.365 3.924  O2  A1I89 2  
A1I89 C42 C2  C 0 1 N N N N N N 24.614 10.400 -22.895 1.125  6.766  1.384  C42 A1I89 3  
A1I89 C43 C3  C 0 1 N N R N N N 24.654 10.692 -21.370 2.588  6.260  1.442  C43 A1I89 4  
A1I89 C45 C4  C 0 1 N N N N N N 27.802 0.044  -22.508 5.267  -2.086 -1.062 C45 A1I89 5  
A1I89 C47 C5  C 0 1 N N R N N N 29.087 0.165  -23.275 6.253  -2.301 0.058  C47 A1I89 6  
A1I89 C49 C6  C 0 1 N N N N N N 30.425 -1.313 -23.485 7.528  -3.783 0.711  C49 A1I89 7  
A1I89 C50 C7  C 0 1 N N N N N N 30.435 -0.133 -22.566 6.024  -3.602 0.854  C50 A1I89 8  
A1I89 C52 C8  C 0 1 N N N N N N 31.582 0.852  -22.948 5.559  -3.377 2.294  C52 A1I89 9  
A1I89 C53 C9  C 0 1 N N N N N N 30.339 -0.505 -21.060 5.197  -4.651 0.108  C53 A1I89 10 
A1I89 C11 C10 C 0 1 Y N N N N N 16.120 3.968  -25.667 -7.681 -1.388 1.617  C11 A1I89 11 
A1I89 C12 C11 C 0 1 Y N N N N N 17.188 3.955  -26.550 -6.750 -1.345 2.630  C12 A1I89 12 
A1I89 C13 C12 C 0 1 Y N N N N N 18.474 3.732  -26.071 -5.386 -1.281 2.346  C13 A1I89 13 
A1I89 C14 C13 C 0 1 N N N N N N 25.109 9.353  -20.738 2.420  4.769  1.048  C14 A1I89 14 
A1I89 C16 C14 C 0 1 N N N N N N 24.801 1.448  -22.958 2.339  -2.405 0.752  C16 A1I89 15 
A1I89 C17 C15 C 0 1 N N S N N N 25.687 1.064  -21.740 3.420  -1.335 0.529  C17 A1I89 16 
A1I89 C18 C16 C 0 1 N N N N N N 25.701 2.164  -20.671 2.704  0.022  0.334  C18 A1I89 17 
A1I89 C19 C17 C 0 1 N N N N N N 26.855 3.115  -21.144 2.400  0.090  -1.178 C19 A1I89 18 
A1I89 C20 C18 C 0 1 N N R N N N 27.423 2.540  -22.493 2.963  -1.233 -1.749 C20 A1I89 19 
A1I89 C21 C19 C 0 1 N N N N N N 26.572 3.047  -23.671 1.861  -2.299 -1.629 C21 A1I89 20 
A1I89 C24 C20 C 0 1 Y N N N N N 22.052 4.768  -23.410 -1.496 0.090  0.385  C24 A1I89 21 
A1I89 C26 C21 C 0 1 Y N N N N N 20.689 4.674  -23.654 -2.871 0.048  0.664  C26 A1I89 22 
A1I89 C27 C22 C 0 1 Y N N N N N 18.722 3.585  -24.699 -4.941 -1.259 1.035  C27 A1I89 23 
A1I89 C28 C23 C 0 1 Y N N N N N 20.143 3.559  -24.300 -3.491 -1.192 0.742  C28 A1I89 24 
A1I89 C30 C24 C 0 1 Y N N N N N 22.272 2.597  -24.356 -1.522 -2.338 0.295  C30 A1I89 25 
A1I89 F3  F1  F 0 1 N N N N N N 16.935 3.120  -20.234 -6.022 -1.309 -3.672 F3  A1I89 26 
A1I89 C4  C25 C 0 1 N N N N N N 19.059 2.813  -21.796 -4.066 -1.218 -1.695 C4  A1I89 27 
A1I89 C5  C26 C 0 1 Y N N N N N 17.828 3.302  -22.399 -5.459 -1.283 -1.371 C5  A1I89 28 
A1I89 C6  C27 C 0 1 Y N N N N N 16.734 3.338  -21.544 -6.413 -1.327 -2.379 C6  A1I89 29 
A1I89 C7  C28 C 0 1 Y N N N N N 15.449 3.632  -22.017 -7.768 -1.391 -2.069 C7  A1I89 30 
A1I89 C8  C29 C 0 1 Y N N N N N 15.281 3.865  -23.390 -8.193 -1.416 -0.776 C8  A1I89 31 
A1I89 C9  C30 C 0 1 Y N N N N N 17.654 3.595  -23.785 -5.878 -1.303 -0.020 C9  A1I89 32 
A1I89 C10 C31 C 0 1 Y N N N N N 16.354 3.810  -24.282 -7.260 -1.368 0.276  C10 A1I89 33 
A1I89 N15 N1  N 0 1 N N N N N N 27.051 1.147  -22.253 4.035  -1.610 -0.794 N15 A1I89 34 
A1I89 N22 N2  N 0 1 N N N N N N 25.152 2.789  -23.488 1.297  -2.253 -0.273 N22 A1I89 35 
A1I89 N23 N3  N 0 1 Y N N N N N 22.579 5.895  -22.925 -0.812 1.236  0.291  N23 A1I89 36 
A1I89 F25 F2  F 0 1 N N N N N N 19.880 5.706  -23.275 -3.574 1.186  0.852  F25 A1I89 37 
A1I89 N29 N4  N 0 1 Y N N N N N 20.969 2.593  -24.709 -2.808 -2.323 0.558  N29 A1I89 38 
A1I89 C31 C32 C 0 1 Y N N N N N 22.896 3.678  -23.699 -0.810 -1.138 0.203  C31 A1I89 39 
A1I89 C32 C33 C 0 1 Y N N N N N 24.265 3.810  -23.450 0.577  -1.094 -0.077 C32 A1I89 40 
A1I89 N33 N5  N 0 1 Y N N N N N 24.772 4.998  -23.069 1.165  0.093  -0.144 N33 A1I89 41 
A1I89 C34 C34 C 0 1 Y N N N N N 23.895 5.964  -22.709 0.481  1.218  0.028  C34 A1I89 42 
A1I89 O35 O2  O 0 1 N N N N N N 24.400 7.180  -22.321 1.140  2.397  -0.060 O35 A1I89 43 
A1I89 C36 C35 C 0 1 N N N N N N 25.776 7.266  -22.019 0.374  3.586  0.142  C36 A1I89 44 
A1I89 C37 C36 C 0 1 N N S N N N 26.069 8.773  -21.817 1.283  4.809  0.006  C37 A1I89 45 
A1I89 C38 C37 C 0 1 N N N N N N 27.584 8.929  -21.526 1.904  4.878  -1.405 C38 A1I89 46 
A1I89 C39 C38 C 0 1 N N N N N N 28.178 9.401  -22.876 1.926  6.400  -1.705 C39 A1I89 47 
A1I89 C40 C39 C 0 1 N N N N N N 27.046 10.142 -23.588 0.618  6.872  -1.022 C40 A1I89 48 
A1I89 N41 N6  N 0 1 N N N N N N 25.782 9.515  -23.093 0.526  6.059  0.233  N41 A1I89 49 
A1I89 F44 F3  F 0 1 N N N N N N 25.580 11.695 -21.132 3.389  6.936  0.515  F44 A1I89 50 
A1I89 O46 O3  O 0 1 N N N N N N 27.387 -1.102 -22.303 5.583  -2.341 -2.205 O46 A1I89 51 
A1I89 O48 O4  O 0 1 N N N N N N 29.285 -1.060 -24.078 7.502  -2.946 -0.361 O48 A1I89 52 
A1I89 O51 O5  O 0 1 N N N N N N 31.214 -2.242 -23.674 8.380  -4.405 1.299  O51 A1I89 53 
A1I89 H1  H1  H 0 1 N N N N N N 20.914 1.929  -20.838 -1.902 -1.116 -2.198 H1  A1I89 54 
A1I89 H2  H2  H 0 1 N N N N N N 16.010 4.121  -28.089 -7.327 -0.488 4.299  H2  A1I89 55 
A1I89 H3  H3  H 0 1 N N N N N N 24.717 11.327 -23.478 0.598  6.510  2.303  H3  A1I89 56 
A1I89 H4  H4  H 0 1 N N N N N N 23.680 9.891  -23.176 1.102  7.844  1.222  H4  A1I89 57 
A1I89 H5  H5  H 0 1 N N N N N N 23.648 10.955 -21.012 2.994  6.355  2.449  H5  A1I89 58 
A1I89 H6  H6  H 0 1 N N N N N N 29.136 1.085  -23.876 6.393  -1.418 0.681  H6  A1I89 59 
A1I89 H7  H7  H 0 1 N N N N N N 31.572 1.711  -22.261 4.659  -2.761 2.293  H7  A1I89 60 
A1I89 H8  H8  H 0 1 N N N N N N 32.550 0.334  -22.873 5.340  -4.338 2.759  H8  A1I89 61 
A1I89 H9  H9  H 0 1 N N N N N N 31.434 1.205  -23.979 6.345  -2.872 2.855  H9  A1I89 62 
A1I89 H10 H10 H 0 1 N N N N N N 30.352 0.413  -20.454 5.742  -4.982 -0.776 H10 A1I89 63 
A1I89 H11 H11 H 0 1 N N N N N N 29.402 -1.052 -20.877 5.016  -5.503 0.763  H11 A1I89 64 
A1I89 H12 H12 H 0 1 N N N N N N 31.194 -1.139 -20.784 4.245  -4.215 -0.193 H12 A1I89 65 
A1I89 H13 H13 H 0 1 N N N N N N 15.113 4.098  -26.036 -8.734 -1.442 1.852  H13 A1I89 66 
A1I89 H14 H14 H 0 1 N N N N N N 19.297 3.671  -26.768 -4.672 -1.248 3.155  H14 A1I89 67 
A1I89 H15 H15 H 0 1 N N N N N N 24.253 8.684  -20.568 3.336  4.382  0.604  H15 A1I89 68 
A1I89 H16 H16 H 0 1 N N N N N N 25.637 9.522  -19.788 2.131  4.173  1.914  H16 A1I89 69 
A1I89 H17 H17 H 0 1 N N N N N N 23.747 1.453  -22.645 2.785  -3.397 0.674  H17 A1I89 70 
A1I89 H18 H18 H 0 1 N N N N N N 24.944 0.701  -23.753 1.900  -2.280 1.742  H18 A1I89 71 
A1I89 H19 H19 H 0 1 N N N N N N 25.426 0.078  -21.329 4.148  -1.308 1.339  H19 A1I89 72 
A1I89 H20 H20 H 0 1 N N N N N N 24.739 2.697  -20.642 1.778  0.049  0.909  H20 A1I89 73 
A1I89 H21 H21 H 0 1 N N N N N N 25.919 1.745  -19.678 3.357  0.843  0.629  H21 A1I89 74 
A1I89 H22 H22 H 0 1 N N N N N N 27.651 3.146  -20.385 1.325  0.150  -1.347 H22 A1I89 75 
A1I89 H23 H23 H 0 1 N N N N N N 26.462 4.130  -21.305 2.904  0.945  -1.628 H23 A1I89 76 
A1I89 H24 H24 H 0 1 N N N N N N 28.501 2.718  -22.619 3.334  -1.121 -2.767 H24 A1I89 77 
A1I89 H25 H25 H 0 1 N N N N N N 26.906 2.542  -24.590 1.076  -2.095 -2.358 H25 A1I89 78 
A1I89 H26 H26 H 0 1 N N N N N N 26.723 4.132  -23.773 2.286  -3.286 -1.814 H26 A1I89 79 
A1I89 H27 H27 H 0 1 N N N N N N 22.868 1.727  -24.589 -1.012 -3.279 0.151  H27 A1I89 80 
A1I89 H28 H28 H 0 1 N N N N N N 14.608 3.678  -21.341 -8.495 -1.424 -2.868 H28 A1I89 81 
A1I89 H29 H29 H 0 1 N N N N N N 14.295 4.093  -23.767 -9.250 -1.465 -0.557 H29 A1I89 82 
A1I89 H30 H30 H 0 1 N N N N N N 26.003 6.705  -21.100 -0.419 3.638  -0.604 H30 A1I89 83 
A1I89 H31 H31 H 0 1 N N N N N N 26.376 6.867  -22.850 -0.066 3.570  1.140  H31 A1I89 84 
A1I89 H32 H32 H 0 1 N N N N N N 28.024 7.969  -21.220 2.916  4.472  -1.401 H32 A1I89 85 
A1I89 H33 H33 H 0 1 N N N N N N 27.756 9.679  -20.740 1.282  4.350  -2.126 H33 A1I89 86 
A1I89 H34 H34 H 0 1 N N N N N N 28.507 8.538  -23.473 2.796  6.875  -1.253 H34 A1I89 87 
A1I89 H35 H35 H 0 1 N N N N N N 29.030 10.075 -22.705 1.895  6.587  -2.779 H35 A1I89 88 
A1I89 H36 H36 H 0 1 N N N N N N 27.134 10.021 -24.678 0.688  7.933  -0.782 H36 A1I89 89 
A1I89 H37 H37 H 0 1 N N N N N N 27.069 11.212 -23.335 -0.243 6.683  -1.661 H37 A1I89 90 
# 
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 
A1I89 O2  C12 SING N N 1  
A1I89 C12 C13 DOUB Y N 2  
A1I89 C12 C11 SING Y N 3  
A1I89 C13 C27 SING Y N 4  
A1I89 C11 C10 DOUB Y N 5  
A1I89 N29 C30 DOUB Y N 6  
A1I89 N29 C28 SING Y N 7  
A1I89 C27 C28 SING N N 8  
A1I89 C27 C9  DOUB Y N 9  
A1I89 C30 C31 SING Y N 10 
A1I89 C28 C26 DOUB Y N 11 
A1I89 C10 C9  SING Y N 12 
A1I89 C10 C8  SING Y N 13 
A1I89 O48 C49 SING N N 14 
A1I89 O48 C47 SING N N 15 
A1I89 C9  C5  SING Y N 16 
A1I89 C31 C32 SING Y N 17 
A1I89 C31 C24 DOUB Y N 18 
A1I89 O51 C49 DOUB N N 19 
A1I89 C21 N22 SING N N 20 
A1I89 C21 C20 SING N N 21 
A1I89 C26 C24 SING Y N 22 
A1I89 C26 F25 SING N N 23 
A1I89 C40 N41 SING N N 24 
A1I89 C40 C39 SING N N 25 
A1I89 N22 C32 SING N N 26 
A1I89 N22 C16 SING N N 27 
A1I89 C49 C50 SING N N 28 
A1I89 C32 N33 DOUB Y N 29 
A1I89 C24 N23 SING Y N 30 
A1I89 C8  C7  DOUB Y N 31 
A1I89 C47 C50 SING N N 32 
A1I89 C47 C45 SING N N 33 
A1I89 N41 C42 SING N N 34 
A1I89 N41 C37 SING N N 35 
A1I89 N33 C34 SING Y N 36 
A1I89 C16 C17 SING N N 37 
A1I89 C52 C50 SING N N 38 
A1I89 N23 C34 DOUB Y N 39 
A1I89 C42 C43 SING N N 40 
A1I89 C39 C38 SING N N 41 
A1I89 C34 O35 SING N N 42 
A1I89 C50 C53 SING N N 43 
A1I89 C45 O46 DOUB N N 44 
A1I89 C45 N15 SING N N 45 
A1I89 C20 N15 SING N N 46 
A1I89 C20 C19 SING N N 47 
A1I89 C5  C4  SING N N 48 
A1I89 C5  C6  DOUB Y N 49 
A1I89 O35 C36 SING N N 50 
A1I89 N15 C17 SING N N 51 
A1I89 C36 C37 SING N N 52 
A1I89 C7  C6  SING Y N 53 
A1I89 C37 C38 SING N N 54 
A1I89 C37 C14 SING N N 55 
A1I89 C4  C1  TRIP N N 56 
A1I89 C17 C18 SING N N 57 
A1I89 C6  F3  SING N N 58 
A1I89 C43 F44 SING N N 59 
A1I89 C43 C14 SING N N 60 
A1I89 C19 C18 SING N N 61 
A1I89 C1  H1  SING N N 62 
A1I89 O2  H2  SING N N 63 
A1I89 C42 H3  SING N N 64 
A1I89 C42 H4  SING N N 65 
A1I89 C43 H5  SING N N 66 
A1I89 C47 H6  SING N N 67 
A1I89 C52 H7  SING N N 68 
A1I89 C52 H8  SING N N 69 
A1I89 C52 H9  SING N N 70 
A1I89 C53 H10 SING N N 71 
A1I89 C53 H11 SING N N 72 
A1I89 C53 H12 SING N N 73 
A1I89 C11 H13 SING N N 74 
A1I89 C13 H14 SING N N 75 
A1I89 C14 H15 SING N N 76 
A1I89 C14 H16 SING N N 77 
A1I89 C16 H17 SING N N 78 
A1I89 C16 H18 SING N N 79 
A1I89 C17 H19 SING N N 80 
A1I89 C18 H20 SING N N 81 
A1I89 C18 H21 SING N N 82 
A1I89 C19 H22 SING N N 83 
A1I89 C19 H23 SING N N 84 
A1I89 C20 H24 SING N N 85 
A1I89 C21 H25 SING N N 86 
A1I89 C21 H26 SING N N 87 
A1I89 C30 H27 SING N N 88 
A1I89 C7  H28 SING N N 89 
A1I89 C8  H29 SING N N 90 
A1I89 C36 H30 SING N N 91 
A1I89 C36 H31 SING N N 92 
A1I89 C38 H32 SING N N 93 
A1I89 C38 H33 SING N N 94 
A1I89 C39 H34 SING N N 95 
A1I89 C39 H35 SING N N 96 
A1I89 C40 H36 SING N N 97 
A1I89 C40 H37 SING N N 98 
# 
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 
A1I89 InChI            InChI                1.06  "InChI=1S/C39H37F3N6O5/c1-4-25-28(41)9-6-20-12-24(49)13-26(29(20)25)31-30(42)32-27(15-43-31)34(45-37(44-32)52-19-39-10-5-11-47(39)16-21(40)14-39)46-17-22-7-8-23(18-46)48(22)35(50)33-38(2,3)36(51)53-33/h1,6,9,12-13,15,21-23,33,49H,5,7-8,10-11,14,16-19H2,2-3H3/t21-,22-,23+,33+,39+/m1/s1" 
A1I89 InChIKey         InChI                1.06  CRALQCNGTOLNEF-YWJVQCMDSA-N                                                                                                                                                                                                                                                                    
A1I89 SMILES_CANONICAL CACTVS               3.385 "CC1(C)[C@@H](OC1=O)C(=O)N2[C@H]3CC[C@@H]2CN(C3)c4nc(OC[C@@]56CCCN5C[C@H](F)C6)nc7c(F)c(ncc47)c8cc(O)cc9ccc(F)c(C#C)c89"                                                                                                                                                                       
A1I89 SMILES           CACTVS               3.385 "CC1(C)[CH](OC1=O)C(=O)N2[CH]3CC[CH]2CN(C3)c4nc(OC[C]56CCCN5C[CH](F)C6)nc7c(F)c(ncc47)c8cc(O)cc9ccc(F)c(C#C)c89"                                                                                                                                                                               
A1I89 SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "CC1([C@@H](OC1=O)C(=O)N2[C@@H]3CC[C@H]2CN(C3)c4c5cnc(c(c5nc(n4)OC[C@@]67CCCN6C[C@@H](C7)F)F)c8cc(cc9c8c(c(cc9)F)C#C)O)C"                                                                                                                                                                      
A1I89 SMILES           "OpenEye OEToolkits" 2.0.7 "CC1(C(OC1=O)C(=O)N2C3CCC2CN(C3)c4c5cnc(c(c5nc(n4)OCC67CCCN6CC(C7)F)F)c8cc(cc9c8c(c(cc9)F)C#C)O)C"                                                                                                                                                                                             
# 
_pdbx_chem_comp_identifier.comp_id           A1I89 
_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        "(4~{R})-4-[[(1~{S},5~{R})-3-[7-(8-ethynyl-7-fluoranyl-3-oxidanyl-naphthalen-1-yl)-8-fluoranyl-2-[[(2~{R},8~{S})-2-fluoranyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]carbonyl]-3,3-dimethyl-oxetan-2-one" 
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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 
A1I89 "Create component" 2025-04-01 PDBE 
A1I89 "Initial release"  2025-07-23 RCSB 
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