data_A1BLF
# 
_chem_comp.id                                    A1BLF 
_chem_comp.name                                  "6-[(1-acetylazetidin-3-yl)amino]-N-[(2R)-2-hydroxy-2-{(3S)-7-[(4-methyl-1,3-oxazol-5-yl)methoxy]-1,2,3,4-tetrahydroisoquinolin-3-yl}ethyl]-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide" 
_chem_comp.type                                  non-polymer 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C32 H42 N8 O5" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2024-12-16 
_chem_comp.pdbx_modified_date                    2025-02-28 
_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                        618.726 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     A1BLF 
_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        9MGR 
_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 
A1BLF N1  N1  N 0 1 N N N N N N -23.815 -85.489  -8.490  5.286   3.364  -0.236 N1  A1BLF 1  
A1BLF N3  N2  N 0 1 N N N N N N -26.354 -87.034  -12.098 7.396   -0.824 -0.194 N3  A1BLF 2  
A1BLF C4  C1  C 0 1 N N N N N N -22.868 -85.899  -7.434  6.004   3.799  0.969  C4  A1BLF 3  
A1BLF C5  C2  C 0 1 N N N N N N -25.106 -85.017  -7.958  3.961   3.990  -0.319 C5  A1BLF 4  
A1BLF C6  C3  C 0 1 N N N N N N -25.752 -86.101  -7.089  4.118   5.510  -0.412 C6  A1BLF 5  
A1BLF C7  C4  C 0 1 Y N N N N N -23.872 -86.274  -9.642  5.186   1.984  -0.282 C7  A1BLF 6  
A1BLF C8  C5  C 0 1 Y N N N N N -25.132 -87.033  -11.451 6.236   -0.071 -0.260 C8  A1BLF 7  
A1BLF C10 C6  C 0 1 N N N N N N -28.605 -85.956  -12.548 8.609   -2.955 -0.760 C10 A1BLF 8  
A1BLF C13 C7  C 0 1 N N N N N N -30.990 -88.072  -10.265 8.398   -5.943 1.774  C13 A1BLF 9  
A1BLF C15 C8  C 0 1 Y N N N N N -22.837 -87.671  -11.189 3.853   0.104  -0.431 C15 A1BLF 10 
A1BLF C17 C9  C 0 1 N N N N N N -19.790 -89.914  -10.897 0.082   -0.333 -0.715 C17 A1BLF 11 
A1BLF C20 C10 C 0 1 N N N N N N -20.860 -92.253  -9.113  -3.434  1.234  -0.796 C20 A1BLF 12 
A1BLF C21 C11 C 0 1 Y N N N N N -21.745 -93.287  -8.433  -4.798  0.642  -0.546 C21 A1BLF 13 
A1BLF C22 C12 C 0 1 Y N N N N N -21.626 -93.500  -7.055  -5.915  1.387  -0.890 C22 A1BLF 14 
A1BLF C24 C13 C 0 1 Y N N N N N -23.342 -95.206  -7.128  -7.340  -0.371 -0.111 C24 A1BLF 15 
A1BLF C26 C14 C 0 1 Y N N N N N -25.321 -98.066  -5.963  -10.979 -0.762 0.039  C26 A1BLF 16 
A1BLF C28 C15 C 0 1 Y N N N N N -24.965 -99.247  -5.399  -11.669 -0.697 1.189  C28 A1BLF 17 
A1BLF C1  C16 C 0 1 N N N N N N -25.419 -87.549  -5.053  4.047   5.709  2.080  C1  A1BLF 18 
A1BLF C2  C17 C 0 1 N N N N N N -24.798 -86.466  -5.944  4.866   6.016  0.825  C2  A1BLF 19 
A1BLF C3  C18 C 0 1 N N N N N N -23.484 -86.982  -6.540  6.223   5.313  0.915  C3  A1BLF 20 
A1BLF N2  N3  N 0 1 Y N N N N N -25.005 -86.322  -10.330 6.291   1.255  -0.219 N2  A1BLF 21 
A1BLF C9  C19 C 0 1 N N N N N N -27.352 -86.048  -11.663 7.323   -2.287 -0.241 C9  A1BLF 22 
A1BLF N4  N4  N 0 1 N N N N N N -29.322 -86.728  -11.515 8.412   -3.942 0.320  N4  A1BLF 23 
A1BLF C11 C20 C 0 1 N N N N N N -28.248 -86.540  -10.517 7.632   -2.966 1.106  C11 A1BLF 24 
A1BLF C12 C21 C 0 1 N N N N N N -30.513 -87.359  -11.502 8.791   -5.221 0.511  C12 A1BLF 25 
A1BLF O1  O1  O 0 1 N N N N N N -31.208 -87.347  -12.498 9.449   -5.791 -0.334 O1  A1BLF 26 
A1BLF C14 C22 C 0 1 Y N N N N N -24.025 -87.754  -11.924 4.990   -0.696 -0.373 C14 A1BLF 27 
A1BLF N5  N5  N 0 1 Y N N N N N -22.802 -86.937  -10.072 3.990   1.429  -0.384 N5  A1BLF 28 
A1BLF C16 C23 C 0 1 N N N N N N -21.627 -88.421  -11.601 2.507   -0.510 -0.546 C16 A1BLF 29 
A1BLF O2  O2  O 0 1 N N N N N N -21.249 -88.423  -12.758 2.392   -1.719 -0.588 O2  A1BLF 30 
A1BLF N6  N6  N 0 1 N N N N N N -20.986 -89.111  -10.634 1.411   0.273  -0.602 N6  A1BLF 31 
A1BLF C18 C24 C 0 1 N N R N N N -20.218 -91.283  -11.437 -0.979  0.769  -0.760 C18 A1BLF 32 
A1BLF O3  O3  O 0 1 N N N N N N -19.050 -92.103  -11.554 -0.813  1.541  -1.950 O3  A1BLF 33 
A1BLF C19 C25 C 0 1 N N S N N N -21.306 -91.953  -10.559 -2.372  0.136  -0.752 C19 A1BLF 34 
A1BLF C23 C26 C 0 1 Y N N N N N -22.415 -94.448  -6.411  -7.183  0.886  -0.675 C23 A1BLF 35 
A1BLF O4  O4  O 0 1 N N N N N N -24.112 -96.120  -6.461  -8.585  -0.871 0.105  O4  A1BLF 36 
A1BLF C25 C27 C 0 1 N N N N N N -24.732 -97.259  -7.093  -9.689  -0.048 -0.273 C25 A1BLF 37 
A1BLF O5  O5  O 0 1 Y N N N N N -26.376 -97.620  -5.267  -11.654 -1.591 -0.782 O5  A1BLF 38 
A1BLF C27 C28 C 0 1 Y N N N N N -26.651 -98.520  -4.318  -12.741 -2.019 -0.127 C27 A1BLF 39 
A1BLF N7  N7  N 0 1 Y N N N N N -25.809 -99.494  -4.402  -12.753 -1.483 1.060  N7  A1BLF 40 
A1BLF C29 C29 C 0 1 N N N N N N -23.882 -100.224 -5.735  -11.296 0.111  2.405  C29 A1BLF 41 
A1BLF C30 C30 C 0 1 Y N N N N N -23.461 -94.989  -8.498  -6.222  -1.116 0.232  C30 A1BLF 42 
A1BLF C31 C31 C 0 1 Y N N N N N -22.664 -94.038  -9.141  -4.951  -0.610 0.013  C31 A1BLF 43 
A1BLF C32 C32 C 0 1 N N N N N N -22.857 -93.857  -10.624 -3.767  -1.461 0.394  C32 A1BLF 44 
A1BLF N8  N8  N 0 1 N N N N N N -21.694 -93.207  -11.243 -2.554  -0.641 0.484  N8  A1BLF 45 
A1BLF H1  H1  H 0 1 N N N N N N -26.757 -87.941  -11.977 8.257   -0.384 -0.116 H1  A1BLF 46 
A1BLF H2  H2  H 0 1 N N N N N N -21.955 -86.295  -7.902  5.418   3.548  1.852  H2  A1BLF 47 
A1BLF H3  H3  H 0 1 N N N N N N -22.614 -85.024  -6.818  6.969   3.294  1.018  H3  A1BLF 48 
A1BLF H4  H4  H 0 1 N N N N N N -24.940 -84.116  -7.350  3.441   3.624  -1.205 H4  A1BLF 49 
A1BLF H5  H5  H 0 1 N N N N N N -25.777 -84.776  -8.796  3.383   3.738  0.570  H5  A1BLF 50 
A1BLF H6  H6  H 0 1 N N N N N N -26.698 -85.724  -6.673  4.683   5.763  -1.308 H6  A1BLF 51 
A1BLF H7  H7  H 0 1 N N N N N N -25.950 -86.993  -7.701  3.134   5.975  -0.458 H7  A1BLF 52 
A1BLF H8  H8  H 0 1 N N N N N N -28.983 -84.934  -12.701 8.513   -3.374 -1.761 H8  A1BLF 53 
A1BLF H9  H9  H 0 1 N N N N N N -28.517 -86.464  -13.520 9.503   -2.343 -0.637 H9  A1BLF 54 
A1BLF H10 H10 H 0 1 N N N N N N -31.979 -88.516  -10.455 7.311   -5.977 1.850  H10 A1BLF 55 
A1BLF H11 H11 H 0 1 N N N N N N -30.276 -88.866  -10.002 8.792   -6.959 1.750  H11 A1BLF 56 
A1BLF H12 H12 H 0 1 N N N N N N -31.064 -87.355  -9.434  8.806   -5.416 2.636  H12 A1BLF 57 
A1BLF H13 H13 H 0 1 N N N N N N -19.222 -90.046  -9.964  0.029   -0.925 -1.628 H13 A1BLF 58 
A1BLF H14 H14 H 0 1 N N N N N N -19.160 -89.405  -11.641 -0.098  -0.976 0.147  H14 A1BLF 59 
A1BLF H15 H15 H 0 1 N N N N N N -19.827 -92.631  -9.134  -3.422  1.711  -1.777 H15 A1BLF 60 
A1BLF H16 H16 H 0 1 N N N N N N -20.897 -91.320  -8.532  -3.217  1.978  -0.030 H16 A1BLF 61 
A1BLF H17 H17 H 0 1 N N N N N N -20.914 -92.922  -6.485  -5.793  2.366  -1.329 H17 A1BLF 62 
A1BLF H18 H18 H 0 1 N N N N N N -24.723 -87.798  -4.239  3.897   4.633  2.162  H18 A1BLF 63 
A1BLF H19 H19 H 0 1 N N N N N N -26.363 -87.177  -4.627  4.580   6.070  2.959  H19 A1BLF 64 
A1BLF H20 H20 H 0 1 N N N N N N -25.617 -88.449  -5.654  3.079   6.206  2.012  H20 A1BLF 65 
A1BLF H21 H21 H 0 1 N N N N N N -24.596 -85.569  -5.339  5.017   7.093  0.743  H21 A1BLF 66 
A1BLF H22 H22 H 0 1 N N N N N N -23.682 -87.883  -7.139  6.742   5.638  1.816  H22 A1BLF 67 
A1BLF H23 H23 H 0 1 N N N N N N -22.785 -87.228  -5.727  6.821   5.563  0.039  H23 A1BLF 68 
A1BLF H24 H24 H 0 1 N N N N N N -26.920 -85.058  -11.454 6.415   -2.652 -0.720 H24 A1BLF 69 
A1BLF H25 H25 H 0 1 N N N N N N -27.905 -87.467  -10.033 8.239   -2.357 1.776  H25 A1BLF 70 
A1BLF H26 H26 H 0 1 N N N N N N -28.465 -85.784  -9.748  6.756   -3.394 1.593  H26 A1BLF 71 
A1BLF H27 H27 H 0 1 N N N N N N -24.087 -88.351  -12.822 4.912   -1.772 -0.410 H27 A1BLF 72 
A1BLF H28 H28 H 0 1 N N N N N N -21.342 -89.072  -9.700  1.503   1.238  -0.568 H28 A1BLF 73 
A1BLF H29 H29 H 0 1 N N N N N N -20.649 -91.128  -12.437 -0.868  1.415  0.111  H29 A1BLF 74 
A1BLF H30 H30 H 0 1 N N N N N N -19.295 -92.958  -11.888 -0.899  1.030  -2.766 H30 A1BLF 75 
A1BLF H31 H31 H 0 1 N N N N N N -22.176 -91.281  -10.519 -2.482  -0.516 -1.618 H31 A1BLF 76 
A1BLF H32 H32 H 0 1 N N N N N N -22.309 -94.599  -5.347  -8.050  1.471  -0.946 H32 A1BLF 77 
A1BLF H33 H33 H 0 1 N N N N N N -25.521 -96.933  -7.787  -9.639  0.160  -1.342 H33 A1BLF 78 
A1BLF H34 H34 H 0 1 N N N N N N -23.984 -97.851  -7.641  -9.650  0.890  0.281  H34 A1BLF 79 
A1BLF H35 H35 H 0 1 N N N N N N -27.451 -98.444  -3.596  -13.485 -2.697 -0.518 H35 A1BLF 80 
A1BLF H36 H36 H 0 1 N N N N N N -23.939 -101.085 -5.052  -11.741 1.103  2.333  H36 A1BLF 81 
A1BLF H37 H37 H 0 1 N N N N N N -24.009 -100.569 -6.772  -11.666 -0.389 3.301  H37 A1BLF 82 
A1BLF H38 H38 H 0 1 N N N N N N -22.902 -99.736  -5.628  -10.211 0.202  2.462  H38 A1BLF 83 
A1BLF H39 H39 H 0 1 N N N N N N -24.176 -95.561  -9.070  -6.343  -2.095 0.671  H39 A1BLF 84 
A1BLF H40 H40 H 0 1 N N N N N N -23.748 -93.234  -10.795 -3.957  -1.931 1.358  H40 A1BLF 85 
A1BLF H41 H41 H 0 1 N N N N N N -23.004 -94.843  -11.088 -3.621  -2.233 -0.361 H41 A1BLF 86 
A1BLF H42 H42 H 0 1 N N N N N N -20.920 -93.840  -11.213 -2.586  -0.036 1.291  H42 A1BLF 87 
# 
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 
A1BLF O2  C16 DOUB N N 1  
A1BLF C10 C9  SING N N 2  
A1BLF C10 N4  SING N N 3  
A1BLF O1  C12 DOUB N N 4  
A1BLF N3  C9  SING N N 5  
A1BLF N3  C8  SING N N 6  
A1BLF C14 C8  DOUB Y N 7  
A1BLF C14 C15 SING Y N 8  
A1BLF C9  C11 SING N N 9  
A1BLF C16 C15 SING N N 10 
A1BLF C16 N6  SING N N 11 
A1BLF O3  C18 SING N N 12 
A1BLF N4  C12 SING N N 13 
A1BLF N4  C11 SING N N 14 
A1BLF C12 C13 SING N N 15 
A1BLF C8  N2  SING Y N 16 
A1BLF C18 C17 SING N N 17 
A1BLF C18 C19 SING N N 18 
A1BLF N8  C32 SING N N 19 
A1BLF N8  C19 SING N N 20 
A1BLF C15 N5  DOUB Y N 21 
A1BLF C17 N6  SING N N 22 
A1BLF C32 C31 SING N N 23 
A1BLF C19 C20 SING N N 24 
A1BLF N2  C7  DOUB Y N 25 
A1BLF N5  C7  SING Y N 26 
A1BLF C7  N1  SING N N 27 
A1BLF C31 C30 DOUB Y N 28 
A1BLF C31 C21 SING Y N 29 
A1BLF C20 C21 SING N N 30 
A1BLF C30 C24 SING Y N 31 
A1BLF N1  C5  SING N N 32 
A1BLF N1  C4  SING N N 33 
A1BLF C21 C22 DOUB Y N 34 
A1BLF C5  C6  SING N N 35 
A1BLF C4  C3  SING N N 36 
A1BLF C24 O4  SING N N 37 
A1BLF C24 C23 DOUB Y N 38 
A1BLF C25 O4  SING N N 39 
A1BLF C25 C26 SING N N 40 
A1BLF C6  C2  SING N N 41 
A1BLF C22 C23 SING Y N 42 
A1BLF C3  C2  SING N N 43 
A1BLF C26 C28 DOUB Y N 44 
A1BLF C26 O5  SING Y N 45 
A1BLF C2  C1  SING N N 46 
A1BLF C29 C28 SING N N 47 
A1BLF C28 N7  SING Y N 48 
A1BLF O5  C27 SING Y N 49 
A1BLF N7  C27 DOUB Y N 50 
A1BLF N3  H1  SING N N 51 
A1BLF C4  H2  SING N N 52 
A1BLF C4  H3  SING N N 53 
A1BLF C5  H4  SING N N 54 
A1BLF C5  H5  SING N N 55 
A1BLF C6  H6  SING N N 56 
A1BLF C6  H7  SING N N 57 
A1BLF C10 H8  SING N N 58 
A1BLF C10 H9  SING N N 59 
A1BLF C13 H10 SING N N 60 
A1BLF C13 H11 SING N N 61 
A1BLF C13 H12 SING N N 62 
A1BLF C17 H13 SING N N 63 
A1BLF C17 H14 SING N N 64 
A1BLF C20 H15 SING N N 65 
A1BLF C20 H16 SING N N 66 
A1BLF C22 H17 SING N N 67 
A1BLF C1  H18 SING N N 68 
A1BLF C1  H19 SING N N 69 
A1BLF C1  H20 SING N N 70 
A1BLF C2  H21 SING N N 71 
A1BLF C3  H22 SING N N 72 
A1BLF C3  H23 SING N N 73 
A1BLF C9  H24 SING N N 74 
A1BLF C11 H25 SING N N 75 
A1BLF C11 H26 SING N N 76 
A1BLF C14 H27 SING N N 77 
A1BLF N6  H28 SING N N 78 
A1BLF C18 H29 SING N N 79 
A1BLF O3  H30 SING N N 80 
A1BLF C19 H31 SING N N 81 
A1BLF C23 H32 SING N N 82 
A1BLF C25 H33 SING N N 83 
A1BLF C25 H34 SING N N 84 
A1BLF C27 H35 SING N N 85 
A1BLF C29 H36 SING N N 86 
A1BLF C29 H37 SING N N 87 
A1BLF C29 H38 SING N N 88 
A1BLF C30 H39 SING N N 89 
A1BLF C32 H40 SING N N 90 
A1BLF C32 H41 SING N N 91 
A1BLF N8  H42 SING N N 92 
# 
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 
A1BLF SMILES           ACDLabs              14.52   "Cc1ncoc1COc1cc2CNC(Cc2cc1)C(O)CNC(=O)c1cc(NC2CN(C2)C(C)=O)nc(n1)N1CCC(C)CC1"                                                                                                                                                                                     
A1BLF InChI            InChI                1.06    "InChI=1S/C32H42N8O5/c1-19-6-8-39(9-7-19)32-37-27(12-30(38-32)36-24-15-40(16-24)21(3)41)31(43)34-14-28(42)26-11-22-4-5-25(10-23(22)13-33-26)44-17-29-20(2)35-18-45-29/h4-5,10,12,18-19,24,26,28,33,42H,6-9,11,13-17H2,1-3H3,(H,34,43)(H,36,37,38)/t26-,28+/m0/s1" 
A1BLF InChIKey         InChI                1.06    YORKMGQSIAFLDS-XTEPFMGCSA-N                                                                                                                                                                                                                                       
A1BLF SMILES_CANONICAL CACTVS               3.385   "CC1CCN(CC1)c2nc(NC3CN(C3)C(C)=O)cc(n2)C(=O)NC[C@@H](O)[C@@H]4Cc5ccc(OCc6ocnc6C)cc5CN4"                                                                                                                                                                           
A1BLF SMILES           CACTVS               3.385   "CC1CCN(CC1)c2nc(NC3CN(C3)C(C)=O)cc(n2)C(=O)NC[CH](O)[CH]4Cc5ccc(OCc6ocnc6C)cc5CN4"                                                                                                                                                                               
A1BLF SMILES_CANONICAL "OpenEye OEToolkits" 3.1.0.0 "Cc1c(ocn1)COc2ccc3c(c2)CN[C@@H](C3)[C@@H](CNC(=O)c4cc(nc(n4)N5CCC(CC5)C)NC6CN(C6)C(=O)C)O"                                                                                                                                                                       
A1BLF SMILES           "OpenEye OEToolkits" 3.1.0.0 "Cc1c(ocn1)COc2ccc3c(c2)CNC(C3)C(CNC(=O)c4cc(nc(n4)N5CCC(CC5)C)NC6CN(C6)C(=O)C)O"                                                                                                                                                                                 
# 
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 
A1BLF "SYSTEMATIC NAME" ACDLabs              14.52   "6-[(1-acetylazetidin-3-yl)amino]-N-[(2R)-2-hydroxy-2-{(3S)-7-[(4-methyl-1,3-oxazol-5-yl)methoxy]-1,2,3,4-tetrahydroisoquinolin-3-yl}ethyl]-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide"              
A1BLF "SYSTEMATIC NAME" "OpenEye OEToolkits" 3.1.0.0 "6-[(1-ethanoylazetidin-3-yl)amino]-~{N}-[(2~{R})-2-[(3~{S})-7-[(4-methyl-1,3-oxazol-5-yl)methoxy]-1,2,3,4-tetrahydroisoquinolin-3-yl]-2-oxidanyl-ethyl]-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide" 
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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 
A1BLF "Create component" 2024-12-16 RCSB 
A1BLF "Initial release"  2025-03-05 RCSB 
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