data_A1EEW
# 
_chem_comp.id                                    A1EEW 
_chem_comp.name                                  "(2~{S})-~{N}-[2-[[5-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-1~{H}-indazol-3-yl]amino]-3-fluoranyl-5-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-2-cyano-3-cyclopropyl-propanamide" 
_chem_comp.type                                  non-polymer 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C36 H39 Cl2 F N8 O3" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2024-10-31 
_chem_comp.pdbx_modified_date                    2025-10-17 
_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                        721.651 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     A1EEW 
_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        9K0I 
_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 
A1EEW CLBD CL1 CL 0 0 N N N N N N 201.850 2.896 140.837 8.563   -2.182 -0.513 CLBD A1EEW 1  
A1EEW CBC  C1  C  0 1 Y N N N N N 202.207 3.853 139.433 8.325   -0.464 -0.435 CBC  A1EEW 2  
A1EEW CBB  C2  C  0 1 Y N N N N N 201.314 4.855 139.074 9.406   0.387  -0.289 CBB  A1EEW 3  
A1EEW NBA  N1  N  0 1 Y N N N N N 201.564 5.645 137.953 9.233   1.693  -0.230 NBA  A1EEW 4  
A1EEW CAZ  C3  C  0 1 Y N N N N N 202.716 5.415 137.205 8.035   2.239  -0.307 CAZ  A1EEW 5  
A1EEW CAY  C4  C  0 1 Y N N N N N 203.614 4.413 137.557 6.907   1.452  -0.454 CAY  A1EEW 6  
A1EEW CLBE CL2 CL 0 0 N N N N N N 204.999 4.245 136.530 5.334   2.180  -0.554 CLBE A1EEW 7  
A1EEW CAW  C5  C  0 1 Y N N N N N 203.367 3.619 138.689 7.049   0.073  -0.525 CAW  A1EEW 8  
A1EEW CAK  C6  C  0 1 N N R N N N 204.205 2.573 139.135 5.845   -0.819 -0.686 CAK  A1EEW 9  
A1EEW CAX  C7  C  0 1 N N N N N N 203.688 1.246 138.564 5.782   -1.337 -2.124 CAX  A1EEW 10 
A1EEW OAJ  O1  O  0 1 N N N N N N 205.579 2.697 138.746 5.949   -1.924 0.214  OAJ  A1EEW 11 
A1EEW CAA  C8  C  0 1 Y N N N N N 206.454 3.470 139.456 4.786   -2.437 0.699  CAA  A1EEW 12 
A1EEW CAF  C9  C  0 1 Y N N N N N 206.077 4.495 140.327 3.579   -1.969 0.223  CAF  A1EEW 13 
A1EEW CAE  C10 C  0 1 Y N N N N N 207.022 5.197 140.969 2.388   -2.500 0.726  CAE  A1EEW 14 
A1EEW CAB  C11 C  0 1 Y N N N N N 207.803 3.209 139.272 4.820   -3.436 1.670  CAB  A1EEW 15 
A1EEW CAC  C12 C  0 1 Y N N N N N 208.729 3.969 139.963 3.664   -3.964 2.170  CAC  A1EEW 16 
A1EEW CAD  C13 C  0 1 Y N N N N N 208.317 4.931 140.782 2.432   -3.506 1.711  CAD  A1EEW 17 
A1EEW NAG  N2  N  0 1 Y N N N N N 209.015 5.775 141.537 1.131   -3.828 2.008  NAG  A1EEW 18 
A1EEW NAH  N3  N  0 1 Y N N N N N 208.303 6.482 142.116 0.274   -3.040 1.233  NAH  A1EEW 19 
A1EEW CAI  C14 C  0 1 Y N N N N N 207.029 6.202 141.851 0.970   -2.249 0.459  CAI  A1EEW 20 
A1EEW NAL  N4  N  0 1 N N N N N N 206.101 6.960 142.446 0.455   -1.324 -0.453 NAL  A1EEW 21 
A1EEW CAM  C15 C  0 1 Y N N N N N 204.934 6.511 142.915 -0.929  -1.101 -0.519 CAM  A1EEW 22 
A1EEW CAN  C16 C  0 1 Y N N N N N 204.791 6.271 144.286 -1.447  0.160  -0.232 CAN  A1EEW 23 
A1EEW CAO  C17 C  0 1 Y N N N N N 203.547 5.836 144.744 -2.815  0.378  -0.298 CAO  A1EEW 24 
A1EEW NAS  N5  N  0 1 N N N N N N 205.896 6.427 145.053 -0.586  1.207  0.124  NAS  A1EEW 25 
A1EEW CAT  C18 C  0 1 N N N N N N 206.088 5.658 146.167 -0.944  2.485  -0.115 CAT  A1EEW 26 
A1EEW OAV  O2  O  0 1 N N N N N N 205.315 4.797 146.578 -2.041  2.732  -0.571 OAV  A1EEW 27 
A1EEW CAU  C19 C  0 1 N N S N N N 207.437 5.808 146.923 0.018   3.605  0.184  CAU  A1EEW 28 
A1EEW CBW  C20 C  0 1 N N N N N N 207.346 6.648 148.152 0.356   3.593  1.616  CBW  A1EEW 29 
A1EEW NBX  N6  N  0 1 N N N N N N 207.295 7.254 149.110 0.617   3.584  2.722  NBX  A1EEW 30 
A1EEW CBS  C21 C  0 1 N N N N N N 208.588 6.247 145.999 -0.630  4.944  -0.176 CBS  A1EEW 31 
A1EEW CBT  C22 C  0 1 N N N N N N 208.790 5.136 144.953 0.388   6.070  0.009  CBT  A1EEW 32 
A1EEW CBU  C23 C  0 1 N N N N N N 208.586 3.709 145.455 0.086   7.128  1.072  CBU  A1EEW 33 
A1EEW CBV  C24 C  0 1 N N N N N N 209.971 4.210 145.153 -0.032  7.479  -0.413 CBV  A1EEW 34 
A1EEW CAR  C25 C  0 1 Y N N N N N 203.866 6.385 142.031 -1.784  -2.136 -0.876 CAR  A1EEW 35 
A1EEW FBL  F1  F  0 1 N N N N N N 204.017 6.657 140.702 -1.283  -3.358 -1.160 FBL  A1EEW 36 
A1EEW CAQ  C26 C  0 1 Y N N N N N 202.634 5.959 142.514 -3.148  -1.916 -0.942 CAQ  A1EEW 37 
A1EEW CAP  C27 C  0 1 Y N N N N N 202.475 5.679 143.868 -3.666  -0.660 -0.650 CAP  A1EEW 38 
A1EEW NBF  N7  N  0 1 N N N N N N 201.285 5.268 144.334 -5.047  -0.441 -0.716 NBF  A1EEW 39 
A1EEW CBK  C28 C  0 1 N N N N N N 201.186 4.371 145.510 -5.756  -1.665 -1.111 CBK  A1EEW 40 
A1EEW CBJ  C29 C  0 1 N N N N N N 199.936 4.687 146.332 -7.240  -1.353 -1.314 CBJ  A1EEW 41 
A1EEW CBG  C30 C  0 1 N N N N N N 200.037 5.690 143.670 -5.558  0.082  0.557  CBG  A1EEW 42 
A1EEW CBH  C31 C  0 1 N N N N N N 198.965 4.668 143.974 -7.037  0.446  0.403  CBH  A1EEW 43 
A1EEW CBI  C32 C  0 1 N N N N N N 198.652 4.696 145.476 -7.824  -0.800 -0.011 CBI  A1EEW 44 
A1EEW NBM  N8  N  0 1 N N N N N N 197.734 3.607 145.854 -9.234  -0.444 -0.217 NBM  A1EEW 45 
A1EEW CBN  C33 C  0 1 N N N N N N 196.560 3.655 144.958 -9.802  0.177  0.988  CBN  A1EEW 46 
A1EEW CBO  C34 C  0 1 N N N N N N 195.339 3.056 145.638 -11.251 0.586  0.711  CBO  A1EEW 47 
A1EEW OBP  O3  O  0 1 N N N N N N 194.937 3.916 146.740 -11.993 -0.563 0.294  OBP  A1EEW 48 
A1EEW CBQ  C35 C  0 1 N N N N N N 196.054 4.619 147.351 -11.468 -1.194 -0.878 CBQ  A1EEW 49 
A1EEW CBR  C36 C  0 1 N N N N N N 197.304 3.754 147.259 -10.021 -1.620 -0.617 CBR  A1EEW 50 
A1EEW H1   H1  H  0 1 N N N N N N 200.425 5.022 139.664 10.402  -0.023 -0.223 H1   A1EEW 51 
A1EEW H2   H2  H  0 1 N N N N N N 202.915 6.025 136.337 7.933   3.312  -0.250 H2   A1EEW 52 
A1EEW H3   H3  H  0 1 N N N N N N 204.150 2.508 140.232 4.941   -0.253 -0.463 H3   A1EEW 53 
A1EEW H4   H4  H  0 1 N N N N N N 204.334 0.423 138.905 6.687   -1.903 -2.346 H4   A1EEW 54 
A1EEW H5   H5  H  0 1 N N N N N N 202.659 1.073 138.912 4.912   -1.983 -2.240 H5   A1EEW 55 
A1EEW H6   H6  H  0 1 N N N N N N 203.700 1.290 137.465 5.703   -0.494 -2.810 H6   A1EEW 56 
A1EEW H7   H7  H  0 1 N N N N N N 205.032 4.720 140.482 3.554   -1.197 -0.532 H7   A1EEW 57 
A1EEW H8   H8  H  0 1 N N N N N N 208.125 2.426 138.601 5.772   -3.797 2.031  H8   A1EEW 58 
A1EEW H9   H9  H  0 1 N N N N N N 209.785 3.781 139.837 3.706   -4.738 2.921  H9   A1EEW 59 
A1EEW H10  H10 H  0 1 N N N N N N 210.013 5.796 141.596 0.851   -4.496 2.653  H10  A1EEW 60 
A1EEW H11  H11 H  0 1 N N N N N N 206.296 7.936 142.547 1.053   -0.837 -1.040 H11  A1EEW 61 
A1EEW H12  H12 H  0 1 N N N N N N 203.413 5.618 145.793 -3.218  1.355  -0.075 H12  A1EEW 62 
A1EEW H13  H13 H  0 1 N N N N N N 206.579 7.112 144.802 0.267   1.013  0.543  H13  A1EEW 63 
A1EEW H14  H14 H  0 1 N N N N N N 207.699 4.795 147.263 0.926   3.471  -0.405 H14  A1EEW 64 
A1EEW H15  H15 H  0 1 N N N N N N 209.509 6.383 146.585 -0.961  4.920  -1.215 H15  A1EEW 65 
A1EEW H16  H16 H  0 1 N N N N N N 208.329 7.192 145.498 -1.487  5.119  0.474  H16  A1EEW 66 
A1EEW H17  H17 H  0 1 N N N N N N 208.484 5.358 143.920 1.431   5.790  -0.140 H17  A1EEW 67 
A1EEW H18  H18 H  0 1 N N N N N N 208.280 3.531 146.497 -0.839  7.022  1.639  H18  A1EEW 68 
A1EEW H19  H19 H  0 1 N N N N N N 208.118 2.958 144.802 0.930   7.544  1.622  H19  A1EEW 69 
A1EEW H20  H20 H  0 1 N N N N N N 210.516 3.821 144.280 0.734   8.127  -0.840 H20  A1EEW 70 
A1EEW H21  H21 H  0 1 N N N N N N 210.678 4.394 145.975 -1.035  7.604  -0.822 H21  A1EEW 71 
A1EEW H22  H22 H  0 1 N N N N N N 201.800 5.845 141.838 -3.812  -2.721 -1.220 H22  A1EEW 72 
A1EEW H23  H23 H  0 1 N N N N N N 201.136 3.328 145.164 -5.334  -2.045 -2.041 H23  A1EEW 73 
A1EEW H24  H24 H  0 1 N N N N N N 202.076 4.506 146.142 -5.646  -2.416 -0.329 H24  A1EEW 74 
A1EEW H25  H25 H  0 1 N N N N N N 200.059 5.678 146.794 -7.351  -0.612 -2.106 H25  A1EEW 75 
A1EEW H26  H26 H  0 1 N N N N N N 199.830 3.926 147.119 -7.769  -2.265 -1.593 H26  A1EEW 76 
A1EEW H27  H27 H  0 1 N N N N N N 200.196 5.749 142.583 -5.450  -0.678 1.331  H27  A1EEW 77 
A1EEW H28  H28 H  0 1 N N N N N N 199.729 6.675 144.050 -4.993  0.970  0.838  H28  A1EEW 78 
A1EEW H29  H29 H  0 1 N N N N N N 198.055 4.908 143.404 -7.420  0.819  1.353  H29  A1EEW 79 
A1EEW H30  H30 H  0 1 N N N N N N 199.321 3.666 143.691 -7.144  1.215  -0.361 H30  A1EEW 80 
A1EEW H31  H31 H  0 1 N N N N N N 198.141 5.649 145.679 -7.749  -1.555 0.771  H31  A1EEW 81 
A1EEW H33  H33 H  0 1 N N N N N N 196.780 3.084 144.044 -9.776  -0.536 1.812  H33  A1EEW 82 
A1EEW H34  H34 H  0 1 N N N N N N 196.349 4.702 144.695 -9.219  1.060  1.252  H34  A1EEW 83 
A1EEW H35  H35 H  0 1 N N N N N N 194.515 2.977 144.913 -11.694 0.995  1.619  H35  A1EEW 84 
A1EEW H36  H36 H  0 1 N N N N N N 195.586 2.055 146.023 -11.273 1.339  -0.077 H36  A1EEW 85 
A1EEW H37  H37 H  0 1 N N N N N N 196.224 5.568 146.822 -12.068 -2.071 -1.120 H37  A1EEW 86 
A1EEW H38  H38 H  0 1 N N N N N N 195.826 4.824 148.407 -11.497 -0.492 -1.712 H38  A1EEW 87 
A1EEW H39  H39 H  0 1 N N N N N N 197.087 2.760 147.676 -9.599  -2.049 -1.525 H39  A1EEW 88 
A1EEW H40  H40 H  0 1 N N N N N N 198.113 4.225 147.837 -9.999  -2.362 0.181  H40  A1EEW 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 
A1EEW CLBE CAY  SING N N 1  
A1EEW CAZ  CAY  DOUB Y N 2  
A1EEW CAZ  NBA  SING Y N 3  
A1EEW CAY  CAW  SING Y N 4  
A1EEW NBA  CBB  DOUB Y N 5  
A1EEW CAX  CAK  SING N N 6  
A1EEW CAW  CAK  SING N N 7  
A1EEW CAW  CBC  DOUB Y N 8  
A1EEW OAJ  CAK  SING N N 9  
A1EEW OAJ  CAA  SING N N 10 
A1EEW CBB  CBC  SING Y N 11 
A1EEW CAB  CAA  DOUB Y N 12 
A1EEW CAB  CAC  SING Y N 13 
A1EEW CBC  CLBD SING N N 14 
A1EEW CAA  CAF  SING Y N 15 
A1EEW CAC  CAD  DOUB Y N 16 
A1EEW CAF  CAE  DOUB Y N 17 
A1EEW FBL  CAR  SING N N 18 
A1EEW CAD  CAE  SING Y N 19 
A1EEW CAD  NAG  SING Y N 20 
A1EEW CAE  CAI  SING Y N 21 
A1EEW NAG  NAH  SING Y N 22 
A1EEW CAI  NAH  DOUB Y N 23 
A1EEW CAI  NAL  SING N N 24 
A1EEW CAR  CAQ  DOUB Y N 25 
A1EEW CAR  CAM  SING Y N 26 
A1EEW NAL  CAM  SING N N 27 
A1EEW CAQ  CAP  SING Y N 28 
A1EEW CAM  CAN  DOUB Y N 29 
A1EEW CBG  CBH  SING N N 30 
A1EEW CBG  NBF  SING N N 31 
A1EEW CAP  NBF  SING N N 32 
A1EEW CAP  CAO  DOUB Y N 33 
A1EEW CBH  CBI  SING N N 34 
A1EEW CAN  CAO  SING Y N 35 
A1EEW CAN  NAS  SING N N 36 
A1EEW NBF  CBK  SING N N 37 
A1EEW CBT  CBV  SING N N 38 
A1EEW CBT  CBU  SING N N 39 
A1EEW CBT  CBS  SING N N 40 
A1EEW CBN  CBO  SING N N 41 
A1EEW CBN  NBM  SING N N 42 
A1EEW NAS  CAT  SING N N 43 
A1EEW CBV  CBU  SING N N 44 
A1EEW CBI  NBM  SING N N 45 
A1EEW CBI  CBJ  SING N N 46 
A1EEW CBK  CBJ  SING N N 47 
A1EEW CBO  OBP  SING N N 48 
A1EEW NBM  CBR  SING N N 49 
A1EEW CBS  CAU  SING N N 50 
A1EEW CAT  OAV  DOUB N N 51 
A1EEW CAT  CAU  SING N N 52 
A1EEW OBP  CBQ  SING N N 53 
A1EEW CAU  CBW  SING N N 54 
A1EEW CBR  CBQ  SING N N 55 
A1EEW CBW  NBX  TRIP N N 56 
A1EEW CBB  H1   SING N N 57 
A1EEW CAZ  H2   SING N N 58 
A1EEW CAK  H3   SING N N 59 
A1EEW CAX  H4   SING N N 60 
A1EEW CAX  H5   SING N N 61 
A1EEW CAX  H6   SING N N 62 
A1EEW CAF  H7   SING N N 63 
A1EEW CAB  H8   SING N N 64 
A1EEW CAC  H9   SING N N 65 
A1EEW NAG  H10  SING N N 66 
A1EEW NAL  H11  SING N N 67 
A1EEW CAO  H12  SING N N 68 
A1EEW NAS  H13  SING N N 69 
A1EEW CAU  H14  SING N N 70 
A1EEW CBS  H15  SING N N 71 
A1EEW CBS  H16  SING N N 72 
A1EEW CBT  H17  SING N N 73 
A1EEW CBU  H18  SING N N 74 
A1EEW CBU  H19  SING N N 75 
A1EEW CBV  H20  SING N N 76 
A1EEW CBV  H21  SING N N 77 
A1EEW CAQ  H22  SING N N 78 
A1EEW CBK  H23  SING N N 79 
A1EEW CBK  H24  SING N N 80 
A1EEW CBJ  H25  SING N N 81 
A1EEW CBJ  H26  SING N N 82 
A1EEW CBG  H27  SING N N 83 
A1EEW CBG  H28  SING N N 84 
A1EEW CBH  H29  SING N N 85 
A1EEW CBH  H30  SING N N 86 
A1EEW CBI  H31  SING N N 87 
A1EEW CBN  H33  SING N N 88 
A1EEW CBN  H34  SING N N 89 
A1EEW CBO  H35  SING N N 90 
A1EEW CBO  H36  SING N N 91 
A1EEW CBQ  H37  SING N N 92 
A1EEW CBQ  H38  SING N N 93 
A1EEW CBR  H39  SING N N 94 
A1EEW CBR  H40  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 
A1EEW InChI            InChI                1.06  "InChI=1S/C36H39Cl2FN8O3/c1-21(33-28(37)19-41-20-29(33)38)50-26-4-5-31-27(17-26)35(45-44-31)43-34-30(39)15-25(16-32(34)42-36(48)23(18-40)14-22-2-3-22)46-8-6-24(7-9-46)47-10-12-49-13-11-47/h4-5,15-17,19-24H,2-3,6-14H2,1H3,(H,42,48)(H2,43,44,45)/t21-,23+/m1/s1" 
A1EEW InChIKey         InChI                1.06  CRSNSQWEEMLLEQ-GGAORHGYSA-N                                                                                                                                                                                                                                         
A1EEW SMILES_CANONICAL CACTVS               3.385 "C[C@@H](Oc1ccc2[nH]nc(Nc3c(F)cc(cc3NC(=O)[C@@H](CC4CC4)C#N)N5CCC(CC5)N6CCOCC6)c2c1)c7c(Cl)cncc7Cl"                                                                                                                                                                 
A1EEW SMILES           CACTVS               3.385 "C[CH](Oc1ccc2[nH]nc(Nc3c(F)cc(cc3NC(=O)[CH](CC4CC4)C#N)N5CCC(CC5)N6CCOCC6)c2c1)c7c(Cl)cncc7Cl"                                                                                                                                                                     
A1EEW SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "C[C@H](c1c(cncc1Cl)Cl)Oc2ccc3c(c2)c(n[nH]3)Nc4c(cc(cc4F)N5CCC(CC5)N6CCOCC6)NC(=O)[C@@H](CC7CC7)C#N"                                                                                                                                                                
A1EEW SMILES           "OpenEye OEToolkits" 2.0.7 "CC(c1c(cncc1Cl)Cl)Oc2ccc3c(c2)c(n[nH]3)Nc4c(cc(cc4F)N5CCC(CC5)N6CCOCC6)NC(=O)C(CC7CC7)C#N"                                                                                                                                                                         
# 
_pdbx_chem_comp_identifier.comp_id           A1EEW 
_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})-~{N}-[2-[[5-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-1~{H}-indazol-3-yl]amino]-3-fluoranyl-5-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-2-cyano-3-cyclopropyl-propanamide" 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
A1EEW "Create component" 2024-10-31 PDBC 
A1EEW "Modify PCM"       2024-11-01 PDBC 
A1EEW "Initial release"  2025-10-22 RCSB 
# 
_pdbx_chem_comp_pcm.pcm_id                             1 
_pdbx_chem_comp_pcm.comp_id                            A1EEW 
_pdbx_chem_comp_pcm.modified_residue_id                CYS 
_pdbx_chem_comp_pcm.type                               None 
_pdbx_chem_comp_pcm.category                           "Covalent chemical modification" 
_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               CBS 
_pdbx_chem_comp_pcm.modified_residue_id_linking_atom   SG 
_pdbx_chem_comp_pcm.uniprot_specific_ptm_accession     ? 
_pdbx_chem_comp_pcm.uniprot_generic_ptm_accession      ? 
# 
