data_A1CM7
# 
_chem_comp.id                                    A1CM7 
_chem_comp.name                                  "(3R)-3-(6-{4-[(5-chloro-4-{[3-(3-hydroxy-3-methylbutyl)-1-methyl-2-oxo-2,3-dihydro-1H-1,3-benzimidazol-5-yl]amino}pyrimidin-2-yl)(methyl)amino]piperidin-1-yl}-1-methyl-1H-indazol-3-yl)piperidine-2,6-dione" 
_chem_comp.type                                  non-polymer 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C36 H43 Cl N10 O4" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2025-08-12 
_chem_comp.pdbx_modified_date                    2025-10-10 
_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                        715.244 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     A1CM7 
_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        9Q03 
_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 
A1CM7 N1  N1  N  0 1 Y N N N N N 125.999 115.963 176.658 1.061   -2.644 0.466  N1  A1CM7 1  
A1CM7 N3  N2  N  0 1 Y N N N N N 126.431 118.288 176.189 2.853   -1.183 0.412  N3  A1CM7 2  
A1CM7 C4  C1  C  0 1 Y N N N N N 127.662 121.304 176.565 4.827   0.362  1.242  C4  A1CM7 3  
A1CM7 C5  C2  C  0 1 Y N N N N N 127.436 120.180 169.159 -5.587  1.043  0.992  C5  A1CM7 4  
A1CM7 C6  C3  C  0 1 Y N N N N N 125.369 122.012 176.887 6.748   -0.301 -0.048 C6  A1CM7 5  
A1CM7 C7  C4  C  0 1 Y N N N N N 125.649 116.307 177.900 1.865   -3.691 0.581  C7  A1CM7 6  
A1CM7 C8  C5  C  0 1 Y N N N N N 128.525 119.830 167.019 -7.612  0.305  -0.107 C8  A1CM7 7  
A1CM7 C10 C6  C  0 1 Y N N N N N 127.982 118.989 169.643 -4.846  0.422  0.003  C10 A1CM7 8  
A1CM7 C13 C7  C  0 1 Y N N N N N 126.387 121.083 177.090 5.555   -0.622 0.582  C13 A1CM7 9  
A1CM7 C15 C8  C  0 1 Y N N N N N 128.552 120.592 165.782 -9.047  0.432  0.127  C15 A1CM7 10 
A1CM7 C17 C9  C  0 1 Y N N N N N 126.377 116.973 175.854 1.550   -1.416 0.383  C17 A1CM7 11 
A1CM7 C20 C10 C  0 1 N N N N N N 125.633 125.137 175.045 8.293   2.935  -0.228 C20 A1CM7 12 
A1CM7 C21 C11 C  0 1 N N N N N N 131.535 120.087 163.392 -12.150 -1.609 -0.779 C21 A1CM7 13 
A1CM7 C22 C12 C  0 1 N N N N N N 130.793 120.504 164.653 -10.979 -1.127 0.084  C22 A1CM7 14 
A1CM7 C24 C13 C  0 1 N N N N N N 128.411 117.192 172.839 -1.434  0.144  1.401  C24 A1CM7 15 
A1CM7 C26 C14 C  0 1 N N N N N N 128.839 118.249 171.832 -2.950  -0.056 1.326  C26 A1CM7 16 
A1CM7 C28 C15 C  0 1 N N N N N N 127.206 117.671 173.639 -0.769  -0.585 0.230  C28 A1CM7 17 
A1CM7 C1  C16 C  0 1 Y N N N N N 129.067 118.645 167.504 -6.843  -0.306 -1.104 C1  A1CM7 18 
A1CM7 C11 C17 C  0 1 Y N N N N N 126.923 123.369 175.635 6.475   1.993  0.636  C11 A1CM7 19 
A1CM7 C12 C18 C  0 1 Y N N N N N 125.654 123.154 176.155 7.214   1.004  -0.018 C12 A1CM7 20 
A1CM7 C14 C19 C  0 1 Y N N N N N 125.674 117.618 178.329 3.232   -3.493 0.615  C14 A1CM7 21 
A1CM7 C16 C20 C  0 1 Y N N N N N 126.076 118.615 177.439 3.718   -2.186 0.526  C16 A1CM7 22 
A1CM7 C18 C21 C  0 1 N N N N N N 131.182 118.700 162.950 -12.929 -0.416 -1.265 C18 A1CM7 23 
A1CM7 C19 C22 C  0 1 N N N N N N 128.993 118.841 164.038 -11.030 0.974  -1.225 C19 A1CM7 24 
A1CM7 C2  C23 C  0 1 Y N N N N N 128.798 118.231 168.799 -5.482  -0.250 -1.042 C2  A1CM7 25 
A1CM7 C23 C24 C  0 1 N N N N N N 126.089 118.132 172.711 -1.344  -0.053 -1.086 C23 A1CM7 26 
A1CM7 C25 C25 C  0 1 N N N N N N 126.613 119.141 171.698 -2.862  -0.248 -1.089 C25 A1CM7 27 
A1CM7 C27 C26 C  0 1 N N R N N N 129.282 120.261 164.499 -10.142 -0.140 -0.737 C27 A1CM7 28 
A1CM7 C29 C27 C  0 1 N N N N N N 121.693 126.540 178.884 12.625  -0.817 -0.236 C29 A1CM7 29 
A1CM7 C3  C28 C  0 1 Y N N N N N 127.940 122.448 175.833 5.285   1.665  1.268  C3  A1CM7 30 
A1CM7 C30 C29 C  0 1 N N N N N N 120.980 126.129 176.520 10.982  -1.314 -2.052 C30 A1CM7 31 
A1CM7 C31 C30 C  0 1 N N N N N N 126.461 122.765 167.591 -7.765  2.257  2.979  C31 A1CM7 32 
A1CM7 C32 C31 C  0 1 N N N N N N 128.002 125.213 174.257 6.785   4.490  1.027  C32 A1CM7 33 
A1CM7 C33 C32 C  0 1 N N N N N N 126.641 115.264 174.123 1.197   1.018  0.170  C33 A1CM7 34 
A1CM7 C34 C33 C  0 1 N N N N N N 123.272 125.427 177.272 10.490  0.474  -0.378 C34 A1CM7 35 
A1CM7 C35 C34 C  0 1 N N N N N N 123.461 124.462 176.107 9.397   0.974  -1.324 C35 A1CM7 36 
A1CM7 C36 C35 C  0 1 N N N N N N 121.815 125.617 177.682 11.594  -0.209 -1.189 C36 A1CM7 37 
A1CM7 C9  C36 C  0 1 Y N N N N N 127.711 120.584 167.863 -6.977  0.990  0.947  C9  A1CM7 38 
A1CM7 N10 N3  N  0 1 N N N N N N 126.735 116.640 174.585 0.676   -0.348 0.264  N10 A1CM7 39 
A1CM7 N2  N4  N  0 1 Y N N N N N 127.838 121.670 165.888 -9.212  1.107  1.228  N2  A1CM7 40 
A1CM7 N4  N5  N  0 1 Y N N N N N 127.320 121.674 167.154 -7.971  1.476  1.757  N4  A1CM7 41 
A1CM7 N5  N6  N  0 1 N N N N N N 130.026 118.163 163.451 -12.335 0.772  -1.459 N5  A1CM7 42 
A1CM7 N6  N7  N  0 1 N N N N N N 126.885 124.586 174.961 7.182   3.186  0.490  N6  A1CM7 43 
A1CM7 N7  N8  N  0 1 N N N N N N 124.872 124.248 175.785 8.341   1.628  -0.548 N7  A1CM7 44 
A1CM7 N8  N9  N  0 1 N N N N N N 127.721 118.560 170.941 -3.451  0.469  0.049  N8  A1CM7 45 
A1CM7 N9  N10 N  0 1 N N N N N N 126.112 119.921 177.832 5.082   -1.939 0.555  N9  A1CM7 46 
A1CM7 O1  O1  O  0 1 N N N N N N 131.877 118.061 162.166 -14.115 -0.530 -1.486 O1  A1CM7 47 
A1CM7 O2  O2  O  0 1 N N N N N N 127.892 118.317 164.176 -10.556 2.074  -1.411 O2  A1CM7 48 
A1CM7 O3  O3  O  0 1 N N N N N N 125.255 126.192 174.569 9.127   3.764  -0.541 O3  A1CM7 49 
A1CM7 O4  O4  O  0 1 N N N N N N 121.290 124.331 178.062 12.232  0.754  -2.030 O4  A1CM7 50 
A1CM7 CL1 CL1 CL 0 0 N N N N N N 125.212 118.021 179.951 4.321   -4.837 0.765  CL1 A1CM7 51 
A1CM7 H4  H1  H  0 1 N N N N N N 128.441 120.575 176.731 3.898   0.109  1.730  H4  A1CM7 52 
A1CM7 H5  H2  H  0 1 N N N N N N 126.802 120.783 169.792 -5.090  1.562  1.798  H5  A1CM7 53 
A1CM7 H6  H3  H  0 1 N N N N N N 124.381 121.846 177.290 7.314   -1.066 -0.559 H6  A1CM7 54 
A1CM7 H7  H4  H  0 1 N N N N N N 125.337 115.536 178.589 1.456   -4.689 0.648  H7  A1CM7 55 
A1CM7 H9  H5  H  0 1 N N N N N N 132.616 120.130 163.589 -11.767 -2.167 -1.633 H9  A1CM7 56 
A1CM7 H8  H6  H  0 1 N N N N N N 131.281 120.790 162.585 -12.800 -2.252 -0.185 H8  A1CM7 57 
A1CM7 H11 H7  H  0 1 N N N N N N 131.168 119.917 165.504 -11.361 -0.630 0.976  H11 A1CM7 58 
A1CM7 H10 H8  H  0 1 N N N N N N 130.970 121.574 164.839 -10.364 -1.979 0.375  H10 A1CM7 59 
A1CM7 H15 H9  H  0 1 N N N N N N 128.146 116.269 172.303 -1.205  1.209  1.344  H15 A1CM7 60 
A1CM7 H14 H10 H  0 1 N N N N N N 129.245 116.990 173.527 -1.059  -0.259 2.341  H14 A1CM7 61 
A1CM7 H18 H11 H  0 1 N N N N N N 129.684 117.869 171.240 -3.179  -1.119 1.396  H18 A1CM7 62 
A1CM7 H19 H12 H  0 1 N N N N N N 129.146 119.160 172.366 -3.427  0.474  2.149  H19 A1CM7 63 
A1CM7 H21 H13 H  0 1 N N N N N N 127.528 118.545 174.224 -0.965  -1.654 0.308  H21 A1CM7 64 
A1CM7 H1  H14 H  0 1 N N N N N N 129.701 118.044 166.868 -7.326  -0.833 -1.914 H1  A1CM7 65 
A1CM7 H2  H15 H  0 1 N N N N N N 129.226 117.308 169.162 -4.891  -0.730 -1.809 H2  A1CM7 66 
A1CM7 H13 H16 H  0 1 N N N N N N 125.293 118.600 173.309 -1.113  1.008  -1.181 H13 A1CM7 67 
A1CM7 H12 H17 H  0 1 N N N N N N 125.682 117.261 172.176 -0.905  -0.598 -1.921 H12 A1CM7 68 
A1CM7 H16 H18 H  0 1 N N N N N N 126.964 120.039 172.227 -3.276  0.143  -2.018 H16 A1CM7 69 
A1CM7 H17 H19 H  0 1 N N N N N N 125.804 119.416 171.006 -3.092  -1.310 -1.007 H17 A1CM7 70 
A1CM7 H20 H20 H  0 1 N N N N N N 128.916 120.945 163.719 -9.702  -0.656 -1.590 H20 A1CM7 71 
A1CM7 H23 H21 H  0 1 N N N N N N 122.305 126.149 179.710 13.410  -1.304 -0.814 H23 A1CM7 72 
A1CM7 H24 H22 H  0 1 N N N N N N 122.045 127.546 178.611 13.060  -0.030 0.379  H24 A1CM7 73 
A1CM7 H22 H23 H  0 1 N N N N N N 120.641 126.593 179.200 12.137  -1.552 0.406  H22 A1CM7 74 
A1CM7 H3  H24 H  0 1 N N N N N N 128.926 122.618 175.426 4.718   2.427  1.781  H3  A1CM7 75 
A1CM7 H26 H25 H  0 1 N N N N N N 119.937 126.256 176.845 10.247  -0.881 -2.731 H26 A1CM7 76 
A1CM7 H25 H26 H  0 1 N N N N N N 121.378 127.097 176.181 11.768  -1.801 -2.629 H25 A1CM7 77 
A1CM7 H27 H27 H  0 1 N N N N N N 121.021 125.405 175.693 10.495  -2.049 -1.410 H27 A1CM7 78 
A1CM7 H29 H28 H  0 1 N N N N N N 126.342 123.490 166.772 -7.691  1.582  3.832  H29 A1CM7 79 
A1CM7 H28 H29 H  0 1 N N N N N N 125.476 122.365 167.873 -6.845  2.834  2.891  H28 A1CM7 80 
A1CM7 H30 H30 H  0 1 N N N N N N 126.916 123.265 168.459 -8.607  2.934  3.124  H30 A1CM7 81 
A1CM7 H33 H31 H  0 1 N N N N N N 128.893 124.572 174.337 7.531   5.237  0.756  H33 A1CM7 82 
A1CM7 H32 H32 H  0 1 N N N N N N 127.740 125.345 173.197 5.818   4.774  0.612  H32 A1CM7 83 
A1CM7 H31 H33 H  0 1 N N N N N N 128.215 126.194 174.707 6.711   4.428  2.113  H31 A1CM7 84 
A1CM7 H35 H34 H  0 1 N N N N N N 126.277 114.626 174.942 1.289   1.441  1.171  H35 A1CM7 85 
A1CM7 H36 H35 H  0 1 N N N N N N 125.941 115.209 173.276 2.177   1.001  -0.308 H36 A1CM7 86 
A1CM7 H34 H36 H  0 1 N N N N N N 127.634 114.917 173.801 0.514   1.628  -0.421 H34 A1CM7 87 
A1CM7 H38 H37 H  0 1 N N N N N N 123.828 125.039 178.138 10.911  1.318  0.169  H38 A1CM7 88 
A1CM7 H37 H38 H  0 1 N N N N N N 123.681 126.406 176.982 10.063  -0.239 0.327  H37 A1CM7 89 
A1CM7 H39 H39 H  0 1 N N N N N N 122.955 124.874 175.221 9.824   1.687  -2.029 H39 A1CM7 90 
A1CM7 H40 H40 H  0 1 N N N N N N 123.008 123.495 176.372 8.976   0.130  -1.871 H40 A1CM7 91 
A1CM7 H41 H41 H  0 1 N N N N N N 129.927 117.170 163.380 -12.871 1.513  -1.781 H41 A1CM7 92 
A1CM7 H42 H42 H  0 1 N N N N N N 125.911 120.076 178.799 5.709   -2.679 0.556  H42 A1CM7 93 
A1CM7 H43 H43 H  0 1 N N N N N N 121.794 123.985 178.789 12.944  0.390  -2.574 H43 A1CM7 94 
# 
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 
A1CM7 O1  C18 DOUB N N 1   
A1CM7 C18 C21 SING N N 2   
A1CM7 C18 N5  SING N N 3   
A1CM7 C21 C22 SING N N 4   
A1CM7 N5  C19 SING N N 5   
A1CM7 C19 O2  DOUB N N 6   
A1CM7 C19 C27 SING N N 7   
A1CM7 C27 C22 SING N N 8   
A1CM7 C27 C15 SING N N 9   
A1CM7 C15 N2  DOUB Y N 10  
A1CM7 C15 C8  SING Y N 11  
A1CM7 N2  N4  SING Y N 12  
A1CM7 C8  C1  DOUB Y N 13  
A1CM7 C8  C9  SING Y N 14  
A1CM7 N4  C31 SING N N 15  
A1CM7 N4  C9  SING Y N 16  
A1CM7 C1  C2  SING Y N 17  
A1CM7 C9  C5  DOUB Y N 18  
A1CM7 C2  C10 DOUB Y N 19  
A1CM7 C5  C10 SING Y N 20  
A1CM7 C10 N8  SING N N 21  
A1CM7 N8  C25 SING N N 22  
A1CM7 N8  C26 SING N N 23  
A1CM7 C25 C23 SING N N 24  
A1CM7 C26 C24 SING N N 25  
A1CM7 C23 C28 SING N N 26  
A1CM7 C24 C28 SING N N 27  
A1CM7 C28 N10 SING N N 28  
A1CM7 C33 N10 SING N N 29  
A1CM7 C32 N6  SING N N 30  
A1CM7 O3  C20 DOUB N N 31  
A1CM7 N10 C17 SING N N 32  
A1CM7 N6  C20 SING N N 33  
A1CM7 N6  C11 SING N N 34  
A1CM7 C20 N7  SING N N 35  
A1CM7 C11 C3  DOUB Y N 36  
A1CM7 C11 C12 SING Y N 37  
A1CM7 N7  C35 SING N N 38  
A1CM7 N7  C12 SING N N 39  
A1CM7 C3  C4  SING Y N 40  
A1CM7 C17 N3  DOUB Y N 41  
A1CM7 C17 N1  SING Y N 42  
A1CM7 C35 C34 SING N N 43  
A1CM7 C12 C6  DOUB Y N 44  
A1CM7 N3  C16 SING Y N 45  
A1CM7 C30 C36 SING N N 46  
A1CM7 C4  C13 DOUB Y N 47  
A1CM7 N1  C7  DOUB Y N 48  
A1CM7 C6  C13 SING Y N 49  
A1CM7 C13 N9  SING N N 50  
A1CM7 C34 C36 SING N N 51  
A1CM7 C16 N9  SING N N 52  
A1CM7 C16 C14 DOUB Y N 53  
A1CM7 C36 O4  SING N N 54  
A1CM7 C36 C29 SING N N 55  
A1CM7 C7  C14 SING Y N 56  
A1CM7 C14 CL1 SING N N 57  
A1CM7 C4  H4  SING N N 58  
A1CM7 C5  H5  SING N N 59  
A1CM7 C6  H6  SING N N 60  
A1CM7 C7  H7  SING N N 61  
A1CM7 C21 H9  SING N N 62  
A1CM7 C21 H8  SING N N 63  
A1CM7 C22 H11 SING N N 64  
A1CM7 C22 H10 SING N N 65  
A1CM7 C24 H15 SING N N 66  
A1CM7 C24 H14 SING N N 67  
A1CM7 C26 H18 SING N N 68  
A1CM7 C26 H19 SING N N 69  
A1CM7 C28 H21 SING N N 70  
A1CM7 C1  H1  SING N N 71  
A1CM7 C2  H2  SING N N 72  
A1CM7 C23 H13 SING N N 73  
A1CM7 C23 H12 SING N N 74  
A1CM7 C25 H16 SING N N 75  
A1CM7 C25 H17 SING N N 76  
A1CM7 C27 H20 SING N N 77  
A1CM7 C29 H23 SING N N 78  
A1CM7 C29 H24 SING N N 79  
A1CM7 C29 H22 SING N N 80  
A1CM7 C3  H3  SING N N 81  
A1CM7 C30 H26 SING N N 82  
A1CM7 C30 H25 SING N N 83  
A1CM7 C30 H27 SING N N 84  
A1CM7 C31 H29 SING N N 85  
A1CM7 C31 H28 SING N N 86  
A1CM7 C31 H30 SING N N 87  
A1CM7 C32 H33 SING N N 88  
A1CM7 C32 H32 SING N N 89  
A1CM7 C32 H31 SING N N 90  
A1CM7 C33 H35 SING N N 91  
A1CM7 C33 H36 SING N N 92  
A1CM7 C33 H34 SING N N 93  
A1CM7 C34 H38 SING N N 94  
A1CM7 C34 H37 SING N N 95  
A1CM7 C35 H39 SING N N 96  
A1CM7 C35 H40 SING N N 97  
A1CM7 N5  H41 SING N N 98  
A1CM7 N9  H42 SING N N 99  
A1CM7 O4  H43 SING N N 100 
# 
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 
A1CM7 SMILES           ACDLabs              14.52   "CC(C)(O)CCN1C(=O)N(C)c2ccc(cc21)Nc1nc(ncc1Cl)N(C)C1CCN(CC1)c1ccc2c(c1)n(C)nc2C1CCC(=O)NC1=O"                                                                                                                                                                              
A1CM7 InChI            InChI                1.06    "InChI=1S/C36H43ClN10O4/c1-36(2,51)14-17-47-29-18-21(6-10-27(29)44(4)35(47)50)39-32-26(37)20-38-34(41-32)43(3)22-12-15-46(16-13-22)23-7-8-24-28(19-23)45(5)42-31(24)25-9-11-30(48)40-33(25)49/h6-8,10,18-20,22,25,51H,9,11-17H2,1-5H3,(H,38,39,41)(H,40,48,49)/t25-/m1/s1" 
A1CM7 InChIKey         InChI                1.06    UAPMBWAZZWBDFF-RUZDIDTESA-N                                                                                                                                                                                                                                                
A1CM7 SMILES_CANONICAL CACTVS               3.385   "Cn1nc([C@H]2CCC(=O)NC2=O)c3ccc(cc13)N4CCC(CC4)N(C)c5ncc(Cl)c(Nc6ccc7N(C)C(=O)N(CCC(C)(C)O)c7c6)n5"                                                                                                                                                                        
A1CM7 SMILES           CACTVS               3.385   "Cn1nc([CH]2CCC(=O)NC2=O)c3ccc(cc13)N4CCC(CC4)N(C)c5ncc(Cl)c(Nc6ccc7N(C)C(=O)N(CCC(C)(C)O)c7c6)n5"                                                                                                                                                                         
A1CM7 SMILES_CANONICAL "OpenEye OEToolkits" 3.1.0.0 "CC(C)(CCN1c2cc(ccc2N(C1=O)C)Nc3c(cnc(n3)N(C)C4CCN(CC4)c5ccc6c(c5)n(nc6[C@H]7CCC(=O)NC7=O)C)Cl)O"                                                                                                                                                                          
A1CM7 SMILES           "OpenEye OEToolkits" 3.1.0.0 "CC(C)(CCN1c2cc(ccc2N(C1=O)C)Nc3c(cnc(n3)N(C)C4CCN(CC4)c5ccc6c(c5)n(nc6C7CCC(=O)NC7=O)C)Cl)O"                                                                                                                                                                              
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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 
A1CM7 "SYSTEMATIC NAME" ACDLabs              14.52   "(3R)-3-(6-{4-[(5-chloro-4-{[3-(3-hydroxy-3-methylbutyl)-1-methyl-2-oxo-2,3-dihydro-1H-1,3-benzimidazol-5-yl]amino}pyrimidin-2-yl)(methyl)amino]piperidin-1-yl}-1-methyl-1H-indazol-3-yl)piperidine-2,6-dione" 
A1CM7 "SYSTEMATIC NAME" "OpenEye OEToolkits" 3.1.0.0 "(3~{R})-3-[6-[4-[[5-chloranyl-4-[[1-methyl-3-(3-methyl-3-oxidanyl-butyl)-2-oxidanylidene-benzimidazol-5-yl]amino]pyrimidin-2-yl]-methyl-amino]piperidin-1-yl]-1-methyl-indazol-3-yl]piperidine-2,6-dione"     
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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 
A1CM7 "Create component" 2025-08-12 RCSB 
A1CM7 "Initial release"  2025-10-15 RCSB 
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