data_A1B7P
# 
_chem_comp.id                                    A1B7P 
_chem_comp.name                                  "{(2S)-4-[7-(8-chloronaphthalen-1-yl)-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-1-[(3R)-3-fluoro-3-(pyridin-2-yl)propanoyl]piperazin-2-yl}acetonitrile" 
_chem_comp.type                                  non-polymer 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C37 H40 Cl F N8 O2" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         "{(2S)-4-[7-(8-chloronaphthalen-1-yl)-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-1-[(2Z)-2-fluoro-3-(pyridin-2-yl)prop-2-enoyl]piperazin-2-yl}acetonitrile adduct" 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2025-04-02 
_chem_comp.pdbx_modified_date                    2025-10-31 
_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                        683.217 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     A1B7P 
_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        9NZM 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  RCSB 
_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 
A1B7P C4  C1  C  0 1 Y N N N N N 39.385 -1.491 24.885 6.820   -1.477 3.274  C4  A1B7P 1  
A1B7P C5  C2  C  0 1 Y N N N N N 40.859 -1.622 20.293 8.272   -3.156 -0.969 C5  A1B7P 2  
A1B7P C6  C3  C  0 1 Y N N N N N 27.093 11.571 22.266 -9.423  0.189  2.892  C6  A1B7P 3  
A1B7P C7  C4  C  0 1 Y N N N N N 40.159 -2.022 23.901 7.793   -2.048 2.512  C7  A1B7P 4  
A1B7P C8  C5  C  0 1 Y N N N N N 40.936 -2.063 21.576 8.538   -2.907 0.343  C8  A1B7P 5  
A1B7P C10 C6  C  0 1 Y N N N N N 40.004 -0.586 19.960 7.035   -2.836 -1.523 C10 A1B7P 6  
A1B7P C13 C7  C  0 1 Y N N N N N 40.126 -1.493 22.587 7.552   -2.318 1.154  C13 A1B7P 7  
A1B7P C15 C8  C  0 1 Y N N N N N 36.188 3.725  23.022 1.455   -0.264 0.350  C15 A1B7P 8  
A1B7P C17 C9  C  0 1 Y N N N N N 39.206 -0.015 20.915 6.055   -2.263 -0.767 C17 A1B7P 9  
A1B7P C20 C10 C  0 1 Y N N N N N 35.492 4.959  22.948 0.190   0.116  -0.108 C20 A1B7P 10 
A1B7P C21 C11 C  0 1 Y N N N N N 37.488 6.061  22.817 0.954   2.273  -0.353 C21 A1B7P 11 
A1B7P C22 C12 C  0 1 N N N N N N 31.217 6.770  20.491 -4.696  -1.922 -0.872 C22 A1B7P 12 
A1B7P C24 C13 C  0 1 N N N N N N 38.473 2.589  23.070 3.828   0.363  0.913  C24 A1B7P 13 
A1B7P C26 C14 C  0 1 N N N N N N 39.691 9.492  21.782 2.524   6.861  -1.025 C26 A1B7P 14 
A1B7P C28 C15 C  0 1 N N N N N N 40.671 9.735  24.002 0.619   7.879  0.071  C28 A1B7P 15 
A1B7P CL1 CL1 CL 0 0 N N N N N N 38.011 1.102  20.316 4.520   -1.873 -1.477 CL1 A1B7P 16 
A1B7P C2  C16 C  0 1 N N N N N N 34.655 4.072  19.275 -3.711  -3.246 -3.328 C2  A1B7P 17 
A1B7P C3  C17 C  0 1 Y N N N N N 26.629 10.448 21.623 -8.844  1.230  2.183  C3  A1B7P 18 
A1B7P C9  C18 C  0 1 Y N N N N N 38.542 -0.424 24.629 5.578   -1.157 2.733  C9  A1B7P 19 
A1B7P C11 C19 C  0 1 Y N N N N N 27.480 9.379  21.406 -7.985  0.921  1.140  C11 A1B7P 20 
A1B7P C12 C20 C  0 1 Y N N N N N 28.407 11.583 22.676 -9.127  -1.114 2.538  C12 A1B7P 21 
A1B7P C14 C21 C  0 1 Y N N N N N 39.236 -0.411 22.291 6.294   -1.992 0.590  C14 A1B7P 22 
A1B7P C16 C22 C  0 1 Y N N N N N 38.460 0.148  23.369 5.302   -1.406 1.406  C16 A1B7P 23 
A1B7P C18 C23 C  0 1 Y N N N N N 37.592 3.817  22.966 2.441   0.691  0.430  C18 A1B7P 24 
A1B7P C19 C24 C  0 1 Y N N N N N 28.791 9.472  21.853 -7.736  -0.406 0.843  C19 A1B7P 25 
A1B7P C23 C25 C  0 1 N N N N N N 35.499 2.395  23.225 1.702   -1.697 0.732  C23 A1B7P 26 
A1B7P C25 C26 C  0 1 N N N N N N 40.949 9.249  22.609 1.799   8.223  -0.862 C25 A1B7P 27 
A1B7P C27 C27 C  0 1 N N N N N N 36.435 1.430  23.915 2.976   -1.798 1.573  C27 A1B7P 28 
A1B7P C29 C28 C  0 1 N N N N N N 33.423 6.312  23.383 -1.875  -0.562 0.793  C29 A1B7P 29 
A1B7P C30 C29 C  0 1 N N N N N N 33.104 7.188  22.183 -2.889  -1.712 0.773  C30 A1B7P 30 
A1B7P C31 C30 C  0 1 N N N N N N 33.235 4.299  22.031 -1.388  -0.844 -1.566 C31 A1B7P 31 
A1B7P C32 C31 C  0 1 N N S N N N 38.549 9.569  22.796 1.333   5.871  -1.027 C32 A1B7P 32 
A1B7P C33 C32 C  0 1 N N S N N N 32.950 5.129  20.788 -2.383  -2.005 -1.683 C33 A1B7P 33 
A1B7P C34 C33 C  0 1 N N N N N N 38.651 10.794 25.021 -1.010  6.161  -0.455 C34 A1B7P 34 
A1B7P C35 C34 C  0 1 N N N N N N 34.180 5.322  19.864 -3.088  -1.944 -3.040 C35 A1B7P 35 
A1B7P C36 C35 C  0 1 N N N N N N 29.690 8.262  21.857 -6.804  -0.754 -0.289 C36 A1B7P 36 
A1B7P C37 C36 C  0 1 N N R N N N 30.597 8.145  20.638 -5.695  -1.673 0.228  C37 A1B7P 37 
A1B7P C38 C37 C  0 1 N N N N N N 37.522 8.447  22.689 1.795   4.481  -0.586 C38 A1B7P 38 
A1B7P N39 N1  N  0 1 N N N N N N 35.055 3.113  18.810 -4.192  -4.250 -3.551 N39 A1B7P 39 
A1B7P N40 N2  N  0 1 Y N N N N N 29.260 10.562 22.478 -8.309  -1.371 1.536  N40 A1B7P 40 
A1B7P N41 N3  N  0 1 Y N N N N N 38.251 4.980  22.864 2.160   1.940  0.073  N41 A1B7P 41 
A1B7P N42 N4  N  0 1 Y N N N N N 36.160 6.115  22.848 -0.020  1.383  -0.447 N42 A1B7P 42 
A1B7P N43 N5  N  0 1 N N N N N N 37.699 1.336  23.166 4.056   -1.083 0.874  N43 A1B7P 43 
A1B7P N44 N6  N  0 1 N N N N N N 34.074 5.067  22.955 -0.830  -0.817 -0.207 N44 A1B7P 44 
A1B7P N45 N7  N  0 1 N N N N N N 32.347 6.422  21.178 -3.375  -1.881 -0.605 N45 A1B7P 45 
A1B7P N46 N8  N  0 1 N N N N N N 39.181 9.685  24.174 0.375   6.430  -0.049 N46 A1B7P 46 
A1B7P O47 O1  O  0 1 N N N N N N 30.733 5.993  19.675 -5.080  -2.160 -1.998 O47 A1B7P 47 
A1B7P O48 O2  O  0 1 N N N N N N 38.210 7.187  22.796 0.710   3.558  -0.706 O48 A1B7P 48 
A1B7P H50 H1  H  0 1 N N N N N N 39.429 -1.908 25.880 7.013   -1.274 4.317  H50 A1B7P 49 
A1B7P H51 H2  H  0 1 N N N N N N 41.468 -2.082 19.529 9.031   -3.608 -1.589 H51 A1B7P 50 
A1B7P H52 H3  H  0 1 N N N N N N 26.447 12.418 22.444 -10.093 0.393  3.714  H52 A1B7P 51 
A1B7P H53 H4  H  0 1 N N N N N N 40.807 -2.857 24.124 8.749   -2.293 2.951  H53 A1B7P 52 
A1B7P H54 H5  H  0 1 N N N N N N 41.623 -2.857 21.827 9.501   -3.162 0.759  H54 A1B7P 53 
A1B7P H56 H6  H  0 1 N N N N N N 39.966 -0.226 18.942 6.849   -3.043 -2.566 H56 A1B7P 54 
A1B7P H61 H7  H  0 1 N N N N N N 39.113 2.539  22.177 4.558   0.860  0.275  H61 A1B7P 55 
A1B7P H62 H8  H  0 1 N N N N N N 39.102 2.683  23.967 3.942   0.718  1.937  H62 A1B7P 56 
A1B7P H65 H9  H  0 1 N N N N N N 39.774 10.436 21.223 3.068   6.819  -1.969 H65 A1B7P 57 
A1B7P H66 H10 H  0 1 N N N N N N 39.526 8.662  21.079 3.189   6.669  -0.184 H66 A1B7P 58 
A1B7P H69 H11 H  0 1 N N N N N N 41.162 9.082  24.739 0.875   8.128  1.100  H69 A1B7P 59 
A1B7P H70 H12 H  0 1 N N N N N N 41.035 10.766 24.126 -0.270  8.431  -0.234 H70 A1B7P 60 
A1B7P H49 H13 H  0 1 N N N N N N 25.603 10.400 21.288 -9.057  2.258  2.437  H49 A1B7P 61 
A1B7P H55 H14 H  0 1 N N N N N N 37.934 -0.028 25.429 4.822   -0.708 3.361  H55 A1B7P 62 
A1B7P H57 H15 H  0 1 N N N N N N 27.132 8.491  20.900 -7.517  1.707  0.566  H57 A1B7P 63 
A1B7P H58 H16 H  0 1 N N N N N N 28.774 12.462 23.185 -9.569  -1.930 3.089  H58 A1B7P 64 
A1B7P H59 H17 H  0 1 N N N N N N 34.602 2.540  23.845 0.856   -2.069 1.311  H59 A1B7P 65 
A1B7P H60 H18 H  0 1 N N N N N N 35.206 1.983  22.248 1.814   -2.299 -0.170 H60 A1B7P 66 
A1B7P H63 H19 H  0 1 N N N N N N 41.186 8.175  22.626 2.458   8.956  -0.396 H63 A1B7P 67 
A1B7P H64 H20 H  0 1 N N N N N N 41.795 9.805  22.179 1.437   8.585  -1.825 H64 A1B7P 68 
A1B7P H68 H21 H  0 1 N N N N N N 35.965 0.437  23.963 2.808   -1.344 2.549  H68 A1B7P 69 
A1B7P H67 H22 H  0 1 N N N N N N 36.641 1.788  24.935 3.250   -2.846 1.699  H67 A1B7P 70 
A1B7P H71 H23 H  0 1 N N N N N N 34.096 6.858  24.060 -2.382  0.374  0.559  H71 A1B7P 71 
A1B7P H72 H24 H  0 1 N N N N N N 32.489 6.069  23.912 -1.423  -0.494 1.782  H72 A1B7P 72 
A1B7P H74 H25 H  0 1 N N N N N N 34.043 7.546  21.735 -2.407  -2.631 1.107  H74 A1B7P 73 
A1B7P H73 H26 H  0 1 N N N N N N 32.503 8.049  22.512 -3.724  -1.475 1.433  H73 A1B7P 74 
A1B7P H75 H27 H  0 1 N N N N N N 32.286 4.043  22.525 -0.583  -0.980 -2.288 H75 A1B7P 75 
A1B7P H76 H28 H  0 1 N N N N N N 33.759 3.376  21.742 -1.902  0.097  -1.767 H76 A1B7P 76 
A1B7P H77 H29 H  0 1 N N N N N N 38.015 10.512 22.606 0.879   5.825  -2.018 H77 A1B7P 77 
A1B7P H78 H30 H  0 1 N N N N N N 32.199 4.579  20.201 -1.852  -2.952 -1.585 H78 A1B7P 78 
A1B7P H79 H31 H  0 1 N N N N N N 39.168 10.794 25.992 -1.202  6.627  -1.422 H79 A1B7P 79 
A1B7P H80 H32 H  0 1 N N N N N N 38.821 11.756 24.515 -1.163  5.084  -0.534 H80 A1B7P 80 
A1B7P H81 H33 H  0 1 N N N N N N 37.572 10.650 25.181 -1.693  6.571  0.288  H81 A1B7P 81 
A1B7P H82 H34 H  0 1 N N N N N N 34.996 5.763  20.455 -2.360  -1.709 -3.817 H82 A1B7P 82 
A1B7P H83 H35 H  0 1 N N N N N N 33.903 6.009  19.051 -3.855  -1.171 -3.016 H83 A1B7P 83 
A1B7P H85 H36 H  0 1 N N N N N N 29.057 7.364  21.902 -7.361  -1.264 -1.074 H85 A1B7P 84 
A1B7P H86 H38 H  0 1 N N N N N N 29.946 8.281  19.762 -5.195  -1.200 1.073  H86 A1B7P 85 
A1B7P H89 H40 H  0 1 N N N N N N 37.006 8.507  21.719 2.621   4.155  -1.218 H89 A1B7P 86 
A1B7P H88 H41 H  0 1 N N N N N N 36.786 8.538  23.502 2.125   4.520  0.452  H88 A1B7P 87 
A1B7P F1  F1  F  0 1 N Y N N N N 31.714 9.592  20.559 -6.251  -2.890 0.638  F1  A1B7P 88 
A1B7P H2  H42 H  0 1 N N N N N N 30.325 8.308  22.754 -6.362  0.158  -0.689 H2  A1B7P 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 
A1B7P N39 C2  TRIP N N 1  
A1B7P C2  C35 SING N N 2  
A1B7P O47 C22 DOUB N N 3  
A1B7P C35 C33 SING N N 4  
A1B7P C10 C5  DOUB Y N 5  
A1B7P C10 C17 SING Y N 6  
A1B7P C5  C8  SING Y N 7  
A1B7P CL1 C17 SING N N 8  
A1B7P C22 C37 SING N N 9  
A1B7P C22 N45 SING N N 10 
A1B7P C37 C36 SING N N 11 
A1B7P C33 N45 SING N N 12 
A1B7P C33 C31 SING N N 13 
A1B7P C17 C14 DOUB Y N 14 
A1B7P N45 C30 SING N N 15 
A1B7P C11 C3  DOUB Y N 16 
A1B7P C11 C19 SING Y N 17 
A1B7P C8  C13 DOUB Y N 18 
A1B7P C3  C6  SING Y N 19 
A1B7P C26 C25 SING N N 20 
A1B7P C26 C32 SING N N 21 
A1B7P C19 C36 SING N N 22 
A1B7P C19 N40 DOUB Y N 23 
A1B7P C31 N44 SING N N 24 
A1B7P C30 C29 SING N N 25 
A1B7P C6  C12 DOUB Y N 26 
A1B7P C14 C13 SING Y N 27 
A1B7P C14 C16 SING Y N 28 
A1B7P N40 C12 SING Y N 29 
A1B7P C13 C7  SING Y N 30 
A1B7P C25 C28 SING N N 31 
A1B7P C38 O48 SING N N 32 
A1B7P C38 C32 SING N N 33 
A1B7P O48 C21 SING N N 34 
A1B7P C32 N46 SING N N 35 
A1B7P C21 N42 DOUB Y N 36 
A1B7P C21 N41 SING Y N 37 
A1B7P N42 C20 SING Y N 38 
A1B7P N41 C18 DOUB Y N 39 
A1B7P C20 N44 SING N N 40 
A1B7P C20 C15 DOUB Y N 41 
A1B7P N44 C29 SING N N 42 
A1B7P C18 C15 SING Y N 43 
A1B7P C18 C24 SING N N 44 
A1B7P C15 C23 SING N N 45 
A1B7P C24 N43 SING N N 46 
A1B7P N43 C16 SING N N 47 
A1B7P N43 C27 SING N N 48 
A1B7P C23 C27 SING N N 49 
A1B7P C16 C9  DOUB Y N 50 
A1B7P C7  C4  DOUB Y N 51 
A1B7P C28 N46 SING N N 52 
A1B7P N46 C34 SING N N 53 
A1B7P C9  C4  SING Y N 54 
A1B7P C4  H50 SING N N 55 
A1B7P C5  H51 SING N N 56 
A1B7P C6  H52 SING N N 57 
A1B7P C7  H53 SING N N 58 
A1B7P C8  H54 SING N N 59 
A1B7P C10 H56 SING N N 60 
A1B7P C24 H61 SING N N 61 
A1B7P C24 H62 SING N N 62 
A1B7P C26 H65 SING N N 63 
A1B7P C26 H66 SING N N 64 
A1B7P C28 H69 SING N N 65 
A1B7P C28 H70 SING N N 66 
A1B7P C3  H49 SING N N 67 
A1B7P C9  H55 SING N N 68 
A1B7P C11 H57 SING N N 69 
A1B7P C12 H58 SING N N 70 
A1B7P C23 H59 SING N N 71 
A1B7P C23 H60 SING N N 72 
A1B7P C25 H63 SING N N 73 
A1B7P C25 H64 SING N N 74 
A1B7P C27 H68 SING N N 75 
A1B7P C27 H67 SING N N 76 
A1B7P C29 H71 SING N N 77 
A1B7P C29 H72 SING N N 78 
A1B7P C30 H74 SING N N 79 
A1B7P C30 H73 SING N N 80 
A1B7P C31 H75 SING N N 81 
A1B7P C31 H76 SING N N 82 
A1B7P C32 H77 SING N N 83 
A1B7P C33 H78 SING N N 84 
A1B7P C34 H79 SING N N 85 
A1B7P C34 H80 SING N N 86 
A1B7P C34 H81 SING N N 87 
A1B7P C35 H82 SING N N 88 
A1B7P C35 H83 SING N N 89 
A1B7P C36 H85 SING N N 90 
A1B7P C37 H86 SING N N 91 
A1B7P C38 H89 SING N N 92 
A1B7P C38 H88 SING N N 93 
A1B7P C37 F1  SING N N 94 
A1B7P C36 H2  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 
A1B7P SMILES           ACDLabs              14.52   "CN1CCCC1COc1nc2CN(CCc2c(n1)N1CC(CC#N)N(CC1)C(=O)C(F)Cc1ccccn1)c1cccc2cccc(Cl)c21"                                                                                                                                                                             
A1B7P InChI            InChI                1.06    "InChI=1S/C37H40ClFN8O2/c1-44-17-6-10-28(44)24-49-37-42-32-23-45(33-12-5-8-25-7-4-11-30(38)34(25)33)18-14-29(32)35(43-37)46-19-20-47(27(22-46)13-15-40)36(48)31(39)21-26-9-2-3-16-41-26/h2-5,7-9,11-12,16,27-28,31H,6,10,13-14,17-24H2,1H3/t27-,28-,31+/m0/s1" 
A1B7P InChIKey         InChI                1.06    CDWZWOHAMHBTAX-WAKHXKBOSA-N                                                                                                                                                                                                                                    
A1B7P SMILES_CANONICAL CACTVS               3.385   "CN1CCC[C@H]1COc2nc3CN(CCc3c(n2)N4CCN([C@@H](CC#N)C4)C(=O)[C@H](F)Cc5ccccn5)c6cccc7cccc(Cl)c67"                                                                                                                                                                
A1B7P SMILES           CACTVS               3.385   "CN1CCC[CH]1COc2nc3CN(CCc3c(n2)N4CCN([CH](CC#N)C4)C(=O)[CH](F)Cc5ccccn5)c6cccc7cccc(Cl)c67"                                                                                                                                                                    
A1B7P SMILES_CANONICAL "OpenEye OEToolkits" 3.1.0.0 "CN1CCC[C@H]1COc2nc3c(c(n2)N4CCN([C@H](C4)CC#N)C(=O)[C@@H](Cc5ccccn5)F)CCN(C3)c6cccc7c6c(ccc7)Cl"                                                                                                                                                              
A1B7P SMILES           "OpenEye OEToolkits" 3.1.0.0 "CN1CCCC1COc2nc3c(c(n2)N4CCN(C(C4)CC#N)C(=O)C(Cc5ccccn5)F)CCN(C3)c6cccc7c6c(ccc7)Cl"                                                                                                                                                                           
# 
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 
A1B7P "SYSTEMATIC NAME" ACDLabs              14.52   "{(2S)-4-[7-(8-chloronaphthalen-1-yl)-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-1-[(2R)-2-fluoro-3-(pyridin-2-yl)propanoyl]piperazin-2-yl}acetonitrile"                  
A1B7P "SYSTEMATIC NAME" "OpenEye OEToolkits" 3.1.0.0 "2-[(2~{S})-4-[7-(8-chloranylnaphthalen-1-yl)-2-[[(2~{S})-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5~{H}-pyrido[3,4-d]pyrimidin-4-yl]-1-[(2~{R})-2-fluoranyl-3-pyridin-2-yl-propanoyl]piperazin-2-yl]ethanenitrile" 
# 
_pdbx_chem_comp_synonyms.ordinal      1 
_pdbx_chem_comp_synonyms.comp_id      A1B7P 
_pdbx_chem_comp_synonyms.name         "{(2S)-4-[7-(8-chloronaphthalen-1-yl)-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-1-[(2Z)-2-fluoro-3-(pyridin-2-yl)prop-2-enoyl]piperazin-2-yl}acetonitrile adduct" 
_pdbx_chem_comp_synonyms.provenance   AUTHOR 
_pdbx_chem_comp_synonyms.type         ? 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
A1B7P "Create component"         2025-04-02 RCSB 
A1B7P "Modify synonyms"          2025-04-14 RCSB 
A1B7P "Modify synonyms"          2025-04-15 RCSB 
A1B7P "Modify synonyms"          2025-05-08 RCSB 
A1B7P "Modify PCM"               2025-10-29 RCSB 
A1B7P "Modify component atom id" 2025-10-30 RCSB 
A1B7P "Initial release"          2025-11-05 RCSB 
# 
_pdbx_chem_comp_pcm.pcm_id                             1 
_pdbx_chem_comp_pcm.comp_id                            A1B7P 
_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               C37 
_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      ? 
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