data_J6U
# 
_chem_comp.id                                    J6U 
_chem_comp.name                                  "2-[4-(4-aminobenzene-1-sulfonyl)-2-oxopiperazin-1-yl]-N-[(1R)-2-(3,5-difluorophenyl)-1-{3-[4-(morpholine-4-sulfonyl)phenyl]-4-oxo-3,4-dihydroquinazolin-2-yl}ethyl]acetamide" 
_chem_comp.type                                  non-polymer 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C38 H37 F2 N7 O8 S2" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2023-08-07 
_chem_comp.pdbx_modified_date                    2023-12-15 
_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                        821.869 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     J6U 
_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        8TOV 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  RCSB 
# 
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_backbone_atom_flag 
_chem_comp_atom.pdbx_n_terminal_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 
J6U N1  N1  N 0 1 N N N N N N 11.987 -37.347 -107.040 -0.202 4.093  -1.870 N1  J6U 1  
J6U N3  N2  N 0 1 N N N N N N 11.966 -29.172 -110.425 -3.948 -1.794 -0.740 N3  J6U 2  
J6U C4  C1  C 0 1 Y N N N N N 11.841 -33.645 -106.306 -3.496 2.751  -2.796 C4  J6U 3  
J6U C5  C2  C 0 1 Y N N N N N 12.960 -33.204 -106.842 -4.078 2.606  -1.551 C5  J6U 4  
J6U C6  C3  C 0 1 Y N N N N N 13.849 -34.154 -107.633 -3.376 2.954  -0.411 C6  J6U 5  
J6U C7  C4  C 0 1 N N N N N N 11.322 -30.595 -108.381 -5.640 -0.218 0.200  C7  J6U 6  
J6U C8  C5  C 0 1 N N N N N N 10.930 -29.712 -109.545 -4.587 -1.286 0.315  C8  J6U 7  
J6U C10 C6  C 0 1 N N N N N N 13.641 -30.722 -109.432 -5.452 -0.604 -2.278 C10 J6U 8  
J6U C13 C7  C 0 1 N N S N N N 8.910  -28.667 -114.120 0.672  -2.625 0.506  C13 J6U 9  
J6U C15 C8  C 0 1 N N N N N N 7.577  -27.910 -114.080 0.875  -2.966 1.983  C15 J6U 10 
J6U C17 C9  C 0 1 Y N N N N N 6.969  -27.980 -111.705 -1.375 -2.871 3.074  C17 J6U 11 
J6U C20 C10 C 0 1 Y N N N N N 4.953  -29.924 -112.117 -0.860 -0.344 4.076  C20 J6U 12 
J6U C21 C11 C 0 1 Y N N N N N 5.645  -29.469 -113.138 0.091  -0.992 3.306  C21 J6U 13 
J6U C22 C12 C 0 1 N N N N N N 9.916  -28.963 -117.761 3.874  -2.954 -1.361 C22 J6U 14 
J6U C24 C13 C 0 1 Y N N N N N 10.919 -26.903 -116.804 2.640  -5.095 -1.393 C24 J6U 15 
J6U C26 C14 C 0 1 Y N N N N N 12.035 -26.229 -119.264 4.644  -6.290 -2.905 C26 J6U 16 
J6U C28 C15 C 0 1 Y N N N N N 11.668 -25.737 -116.941 2.530  -6.436 -1.767 C28 J6U 17 
J6U C1  C16 C 0 1 Y N N N N N 13.548 -35.432 -107.682 -2.091 3.447  -0.513 C1  J6U 18 
J6U C2  C17 C 0 1 Y N N N N N 12.309 -35.944 -106.997 -1.502 3.594  -1.763 C2  J6U 19 
J6U C3  C18 C 0 1 Y N N N N N 11.507 -35.113 -106.372 -2.208 3.238  -2.905 C3  J6U 20 
J6U S1  S1  S 0 1 N N N N N N 13.328 -31.428 -106.820 -5.719 1.978  -1.415 S1  J6U 21 
J6U N2  N3  N 0 1 N N N N N N 12.760 -30.792 -108.285 -5.599 0.347  -1.157 N2  J6U 22 
J6U C9  C19 C 0 1 N N N N N N 13.389 -29.420 -110.180 -4.115 -1.327 -2.110 C9  J6U 23 
J6U C11 C20 C 0 1 N N N N N N 11.634 -28.261 -111.497 -3.010 -2.894 -0.505 C11 J6U 24 
J6U O1  O1  O 0 1 N N N N N N 12.693 -30.773 -105.663 -6.265 2.534  -0.227 O1  J6U 25 
J6U O2  O2  O 0 1 N N N N N N 14.756 -31.150 -106.627 -6.317 2.138  -2.694 O2  J6U 26 
J6U C12 C21 C 0 1 N N N N N N 10.653 -28.913 -112.388 -1.658 -2.332 -0.145 C12 J6U 27 
J6U O3  O3  O 0 1 N N N N N N 9.778  -29.482 -109.722 -4.306 -1.706 1.418  O3  J6U 28 
J6U O4  O4  O 0 1 N N N N N N 10.558 -30.093 -112.444 -1.510 -1.133 -0.035 O4  J6U 29 
J6U N4  N4  N 0 1 N N N N N N 9.816  -28.073 -113.183 -0.615 -3.161 0.054  N4  J6U 30 
J6U C14 C22 C 0 1 N N N N N N 9.610  -28.368 -115.447 1.784  -3.234 -0.308 C14 J6U 31 
J6U C16 C23 C 0 1 Y N N N N N 6.730  -28.418 -112.912 -0.165 -2.257 2.811  C16 J6U 32 
J6U C18 C24 C 0 1 Y N N N N N 6.169  -28.512 -110.542 -2.332 -2.221 3.835  C18 J6U 33 
J6U C19 C25 C 0 1 Y N N N N N 5.246  -29.412 -110.723 -2.074 -0.956 4.336  C19 J6U 34 
J6U F1  F1  F 0 1 N N N N N N 6.398  -28.039 -109.307 -3.516 -2.819 4.088  F1  J6U 35 
J6U F2  F2  F 0 1 N N N N N N 3.953  -30.841 -112.307 -0.609 0.892  4.560  F2  J6U 36 
J6U N5  N5  N 0 1 N N N N N N 9.334  -29.216 -116.560 2.849  -2.453 -0.632 N5  J6U 37 
J6U C23 C26 C 0 1 Y N N N N N 10.737 -27.745 -117.924 3.783  -4.360 -1.781 C23 J6U 38 
J6U N6  N6  N 0 1 N N N N N N 10.345 -27.207 -115.577 1.681  -4.481 -0.656 N6  J6U 39 
J6U C25 C27 C 0 1 Y N N N N N 11.313 -27.401 -119.144 4.781  -4.969 -2.538 C25 J6U 40 
J6U C27 C28 C 0 1 Y N N N N N 12.211 -25.408 -118.173 3.522  -7.016 -2.526 C27 J6U 41 
J6U O5  O5  O 0 1 N N N N N N 9.709  -29.876 -118.799 4.832  -2.265 -1.662 O5  J6U 42 
J6U C29 C29 C 0 1 Y N N N N N 8.688  -30.487 -116.344 2.887  -1.119 -0.207 C29 J6U 43 
J6U C30 C30 C 0 1 Y N N N N N 9.422  -31.480 -115.909 3.751  -0.737 0.810  C30 J6U 44 
J6U C31 C31 C 0 1 Y N N N N N 8.791  -32.813 -115.616 3.786  0.579  1.227  C31 J6U 45 
J6U C32 C32 C 0 1 Y N N N N N 7.508  -32.976 -115.809 2.961  1.516  0.632  C32 J6U 46 
J6U C33 C33 C 0 1 Y N N N N N 6.661  -31.846 -116.381 2.099  1.139  -0.382 C33 J6U 47 
J6U C34 C34 C 0 1 Y N N N N N 7.213  -30.678 -116.621 2.064  -0.175 -0.806 C34 J6U 48 
J6U S2  S2  S 0 1 N N N N N N 6.803  -34.618 -115.581 3.009  3.195  1.167  S2  J6U 49 
J6U N7  N7  N 0 1 N N N N N N 6.950  -35.451 -117.071 4.052  4.000  0.164  N7  J6U 50 
J6U O6  O6  O 0 1 N N N N N N 5.407  -34.575 -115.073 1.717  3.732  0.916  O6  J6U 51 
J6U C35 C35 C 0 1 N N N N N N 8.246  -36.065 -117.364 3.558  4.737  -1.010 C35 J6U 52 
J6U C36 C36 C 0 1 N N N N N N 8.222  -36.920 -118.631 4.151  6.150  -0.978 C36 J6U 53 
J6U O7  O7  O 0 1 N N N N N N 7.436  -36.347 -119.626 5.571  6.062  -0.835 O7  J6U 54 
J6U C37 C37 C 0 1 N N N N N N 6.103  -36.334 -119.215 6.000  5.448  0.383  C37 J6U 55 
J6U C38 C38 C 0 1 N N N N N N 5.886  -35.355 -118.064 5.501  4.003  0.423  C38 J6U 56 
J6U O8  O8  O 0 1 N N N N N N 7.498  -35.324 -114.501 3.612  3.189  2.453  O8  J6U 57 
J6U H6  H1  H 0 1 N N N N N N 11.138 -37.510 -106.538 0.262  4.411  -1.080 H6  J6U 58 
J6U H5  H2  H 0 1 N N N N N N 11.872 -37.633 -107.991 0.238  4.117  -2.734 H5  J6U 59 
J6U H3  H3  H 0 1 N N N N N N 11.165 -32.957 -105.821 -4.046 2.479  -3.684 H3  J6U 60 
J6U H4  H4  H 0 1 N N N N N N 14.720 -33.780 -108.150 -3.835 2.839  0.561  H4  J6U 61 
J6U H7  H5  H 0 1 N N N N N N 10.840 -31.576 -108.505 -6.622 -0.652 0.386  H7  J6U 62 
J6U H8  H6  H 0 1 N N N N N N 10.968 -30.128 -107.450 -5.443 0.567  0.930  H8  J6U 63 
J6U H12 H7  H 0 1 N N N N N N 14.687 -30.755 -109.094 -6.271 -1.322 -2.262 H12 J6U 64 
J6U H11 H8  H 0 1 N N N N N N 13.444 -31.574 -110.100 -5.458 -0.061 -3.223 H11 J6U 65 
J6U H16 H9  H 0 1 N N N N N N 8.770  -29.747 -113.967 0.679  -1.543 0.378  H16 J6U 66 
J6U H18 H10 H 0 1 N N N N N N 7.771  -26.835 -113.951 0.780  -4.043 2.124  H18 J6U 67 
J6U H17 H11 H 0 1 N N N N N N 7.035  -28.074 -115.023 1.869  -2.646 2.296  H17 J6U 68 
J6U H19 H12 H 0 1 N N N N N N 7.737  -27.239 -111.540 -1.576 -3.858 2.683  H19 J6U 69 
J6U H21 H13 H 0 1 N N N N N N 5.447  -29.837 -114.134 1.033  -0.510 3.093  H21 J6U 70 
J6U H23 H14 H 0 1 N N N N N N 12.463 -25.956 -120.217 5.412  -6.763 -3.500 H23 J6U 71 
J6U H25 H15 H 0 1 N N N N N N 11.825 -25.091 -116.090 1.667  -7.013 -1.471 H25 J6U 72 
J6U H1  H16 H 0 1 N N N N N N 14.191 -36.117 -108.215 -1.545 3.722  0.377  H1  J6U 73 
J6U H2  H17 H 0 1 N N N N N N 10.606 -35.482 -105.904 -1.753 3.351  -3.879 H2  J6U 74 
J6U H9  H18 H 0 1 N N N N N N 13.910 -29.464 -111.148 -3.302 -0.644 -2.357 H9  J6U 75 
J6U H10 H19 H 0 1 N N N N N N 13.793 -28.588 -109.584 -4.082 -2.182 -2.787 H10 J6U 76 
J6U H14 H20 H 0 1 N N N N N N 11.200 -27.341 -111.079 -3.375 -3.514 0.314  H14 J6U 77 
J6U H13 H21 H 0 1 N N N N N N 12.542 -28.012 -112.066 -2.923 -3.498 -1.408 H13 J6U 78 
J6U H15 H22 H 0 1 N N N N N N 9.862  -27.079 -113.087 -0.715 -4.114 -0.102 H15 J6U 79 
J6U H20 H23 H 0 1 N N N N N N 4.690  -29.793 -109.879 -2.819 -0.448 4.930  H20 J6U 80 
J6U H22 H24 H 0 1 N N N N N N 11.195 -28.051 -119.998 5.656  -4.410 -2.836 H22 J6U 81 
J6U H24 H25 H 0 1 N N N N N N 12.780 -24.496 -118.278 3.427  -8.047 -2.830 H24 J6U 82 
J6U H26 H26 H 0 1 N N N N N N 10.483 -31.341 -115.760 4.395  -1.469 1.275  H26 J6U 83 
J6U H27 H27 H 0 1 N N N N N N 9.394  -33.631 -115.249 4.458  0.877  2.018  H27 J6U 84 
J6U H28 H28 H 0 1 N N N N N N 5.613  -32.004 -116.588 1.456  1.873  -0.844 H28 J6U 85 
J6U H29 H29 H 0 1 N N N N N N 6.621  -29.864 -117.011 1.393  -0.468 -1.600 H29 J6U 86 
J6U H31 H30 H 0 1 N N N N N N 8.992  -35.267 -117.492 3.871  4.228  -1.921 H31 J6U 87 
J6U H32 H31 H 0 1 N N N N N N 8.533  -36.703 -116.515 2.470  4.795  -0.975 H32 J6U 88 
J6U H33 H32 H 0 1 N N N N N N 9.250  -37.028 -119.007 3.910  6.668  -1.906 H33 J6U 89 
J6U H34 H33 H 0 1 N N N N N N 7.816  -37.912 -118.384 3.734  6.701  -0.134 H34 J6U 90 
J6U H35 H34 H 0 1 N N N N N N 5.470  -36.036 -120.063 7.088  5.460  0.433  H35 J6U 91 
J6U H36 H35 H 0 1 N N N N N N 5.820  -37.344 -118.884 5.589  5.996  1.231  H36 J6U 92 
J6U H38 H36 H 0 1 N N N N N N 4.924  -35.580 -117.580 5.699  3.575  1.406  H38 J6U 93 
J6U H37 H37 H 0 1 N N N N N N 5.863  -34.331 -118.465 6.012  3.420  -0.342 H37 J6U 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 
J6U C1  C2  DOUB Y N 1   
J6U C1  C6  SING Y N 2   
J6U C2  C3  SING Y N 3   
J6U C2  N1  SING N N 4   
J6U C3  C4  DOUB Y N 5   
J6U C4  C5  SING Y N 6   
J6U C5  C6  DOUB Y N 7   
J6U C5  S1  SING N N 8   
J6U S1  N2  SING N N 9   
J6U S1  O1  DOUB N N 10  
J6U S1  O2  DOUB N N 11  
J6U N2  C7  SING N N 12  
J6U N2  C10 SING N N 13  
J6U C7  C8  SING N N 14  
J6U C8  N3  SING N N 15  
J6U C8  O3  DOUB N N 16  
J6U N3  C9  SING N N 17  
J6U N3  C11 SING N N 18  
J6U C9  C10 SING N N 19  
J6U C11 C12 SING N N 20  
J6U C12 O4  DOUB N N 21  
J6U C12 N4  SING N N 22  
J6U N4  C13 SING N N 23  
J6U C13 C14 SING N N 24  
J6U C13 C15 SING N N 25  
J6U C14 N5  SING N N 26  
J6U C14 N6  DOUB N N 27  
J6U C15 C16 SING N N 28  
J6U C16 C17 DOUB Y N 29  
J6U C16 C21 SING Y N 30  
J6U C17 C18 SING Y N 31  
J6U C18 C19 DOUB Y N 32  
J6U C18 F1  SING N N 33  
J6U C19 C20 SING Y N 34  
J6U C20 C21 DOUB Y N 35  
J6U C20 F2  SING N N 36  
J6U N5  C22 SING N N 37  
J6U N5  C29 SING N N 38  
J6U C22 C23 SING N N 39  
J6U C22 O5  DOUB N N 40  
J6U C23 C24 DOUB Y N 41  
J6U C23 C25 SING Y N 42  
J6U C24 N6  SING N N 43  
J6U C24 C28 SING Y N 44  
J6U C25 C26 DOUB Y N 45  
J6U C26 C27 SING Y N 46  
J6U C27 C28 DOUB Y N 47  
J6U C29 C30 DOUB Y N 48  
J6U C29 C34 SING Y N 49  
J6U C30 C31 SING Y N 50  
J6U C31 C32 DOUB Y N 51  
J6U C32 C33 SING Y N 52  
J6U C32 S2  SING N N 53  
J6U C33 C34 DOUB Y N 54  
J6U S2  N7  SING N N 55  
J6U S2  O6  DOUB N N 56  
J6U S2  O8  DOUB N N 57  
J6U N7  C35 SING N N 58  
J6U N7  C38 SING N N 59  
J6U C35 C36 SING N N 60  
J6U C36 O7  SING N N 61  
J6U O7  C37 SING N N 62  
J6U C37 C38 SING N N 63  
J6U N1  H6  SING N N 64  
J6U N1  H5  SING N N 65  
J6U C4  H3  SING N N 66  
J6U C6  H4  SING N N 67  
J6U C7  H7  SING N N 68  
J6U C7  H8  SING N N 69  
J6U C10 H12 SING N N 70  
J6U C10 H11 SING N N 71  
J6U C13 H16 SING N N 72  
J6U C15 H18 SING N N 73  
J6U C15 H17 SING N N 74  
J6U C17 H19 SING N N 75  
J6U C21 H21 SING N N 76  
J6U C26 H23 SING N N 77  
J6U C28 H25 SING N N 78  
J6U C1  H1  SING N N 79  
J6U C3  H2  SING N N 80  
J6U C9  H9  SING N N 81  
J6U C9  H10 SING N N 82  
J6U C11 H14 SING N N 83  
J6U C11 H13 SING N N 84  
J6U N4  H15 SING N N 85  
J6U C19 H20 SING N N 86  
J6U C25 H22 SING N N 87  
J6U C27 H24 SING N N 88  
J6U C30 H26 SING N N 89  
J6U C31 H27 SING N N 90  
J6U C33 H28 SING N N 91  
J6U C34 H29 SING N N 92  
J6U C35 H31 SING N N 93  
J6U C35 H32 SING N N 94  
J6U C36 H33 SING N N 95  
J6U C36 H34 SING N N 96  
J6U C37 H35 SING N N 97  
J6U C37 H36 SING N N 98  
J6U C38 H38 SING N N 99  
J6U C38 H37 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 
J6U SMILES           ACDLabs              12.01 "O=S(=O)(N1CCOCC1)c1ccc(cc1)N1C(=Nc2ccccc2C1=O)C(Cc1cc(F)cc(F)c1)NC(=O)CN1CCN(CC1=O)S(=O)(=O)c1ccc(N)cc1"                                                                                                                                                          
J6U InChI            InChI                1.06  "InChI=1S/C38H37F2N7O8S2/c39-26-19-25(20-27(40)22-26)21-34(42-35(48)23-44-13-14-46(24-36(44)49)57(53,54)30-9-5-28(41)6-10-30)37-43-33-4-2-1-3-32(33)38(50)47(37)29-7-11-31(12-8-29)56(51,52)45-15-17-55-18-16-45/h1-12,19-20,22,34H,13-18,21,23-24,41H2,(H,42,48)" 
J6U InChIKey         InChI                1.06  BUHXAJCVTIHGIR-UHFFFAOYSA-N                                                                                                                                                                                                                                        
J6U SMILES_CANONICAL CACTVS               3.385 "Nc1ccc(cc1)[S](=O)(=O)N2CCN(CC(=O)N[C@@H](Cc3cc(F)cc(F)c3)C4=Nc5ccccc5C(=O)N4c6ccc(cc6)[S](=O)(=O)N7CCOCC7)C(=O)C2"                                                                                                                                               
J6U SMILES           CACTVS               3.385 "Nc1ccc(cc1)[S](=O)(=O)N2CCN(CC(=O)N[CH](Cc3cc(F)cc(F)c3)C4=Nc5ccccc5C(=O)N4c6ccc(cc6)[S](=O)(=O)N7CCOCC7)C(=O)C2"                                                                                                                                                 
J6U SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "c1ccc2c(c1)C(=O)N(C(=N2)[C@H](Cc3cc(cc(c3)F)F)NC(=O)CN4CCN(CC4=O)S(=O)(=O)c5ccc(cc5)N)c6ccc(cc6)S(=O)(=O)N7CCOCC7"                                                                                                                                                
J6U SMILES           "OpenEye OEToolkits" 2.0.7 "c1ccc2c(c1)C(=O)N(C(=N2)C(Cc3cc(cc(c3)F)F)NC(=O)CN4CCN(CC4=O)S(=O)(=O)c5ccc(cc5)N)c6ccc(cc6)S(=O)(=O)N7CCOCC7"                                                                                                                                                    
# 
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 
J6U "SYSTEMATIC NAME" ACDLabs              12.01 "2-[4-(4-aminobenzene-1-sulfonyl)-2-oxopiperazin-1-yl]-N-[(1R)-2-(3,5-difluorophenyl)-1-{3-[4-(morpholine-4-sulfonyl)phenyl]-4-oxo-3,4-dihydroquinazolin-2-yl}ethyl]acetamide"                   
J6U "SYSTEMATIC NAME" "OpenEye OEToolkits" 2.0.7 "2-[4-(4-aminophenyl)sulfonyl-2-oxidanylidene-piperazin-1-yl]-~{N}-[(1~{S})-2-[3,5-bis(fluoranyl)phenyl]-1-[3-(4-morpholin-4-ylsulfonylphenyl)-4-oxidanylidene-quinazolin-2-yl]ethyl]ethanamide" 
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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 
J6U "Create component" 2023-08-07 RCSB 
J6U "Initial release"  2023-12-20 RCSB 
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