data_A1AZR
# 
_chem_comp.id                                    A1AZR 
_chem_comp.name                                  "2-(4-butylbenzene-1-sulfonamido)-5-(4-{3-carboxy-4-[4-(2-methoxyethyl)benzene-1-sulfonamido]anilino}-4-oxobutanamido)benzoic acid" 
_chem_comp.type                                  non-polymer 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C37 H40 N4 O11 S2" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2024-07-24 
_chem_comp.pdbx_modified_date                    2024-08-30 
_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                        780.864 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     A1AZR 
_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        9CSG 
_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_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 
A1AZR O9  O1  O 0 1 N N N N N N -27.539 -13.243 -34.925 -7.595  -3.146 1.455  O9  A1AZR 1  
A1AZR S1  S1  S 0 1 N N N N N N -28.167 -14.520 -34.693 -8.574  -2.316 0.846  S1  A1AZR 2  
A1AZR O8  O2  O 0 1 N N N N N N -29.254 -14.526 -33.744 -9.967  -2.592 0.896  O8  A1AZR 3  
A1AZR C28 C1  C 0 1 Y N N N N N -28.823 -15.067 -36.243 -8.361  -0.708 1.535  C28 A1AZR 4  
A1AZR C33 C2  C 0 1 Y N N N N N -29.936 -15.892 -36.265 -9.414  0.188  1.537  C33 A1AZR 5  
A1AZR C32 C3  C 0 1 Y N N N N N -30.538 -16.185 -37.476 -9.246  1.450  2.077  C32 A1AZR 6  
A1AZR C31 C4  C 0 1 Y N N N N N -30.048 -15.666 -38.666 -8.026  1.816  2.614  C31 A1AZR 7  
A1AZR C34 C5  C 0 1 N N N N N N -30.825 -15.811 -39.954 -7.842  3.193  3.197  C34 A1AZR 8  
A1AZR C35 C6  C 0 1 N N N N N N -30.939 -17.226 -40.469 -7.364  4.150  2.102  C35 A1AZR 9  
A1AZR O10 O3  O 0 1 N N N N N N -31.620 -17.182 -41.713 -7.190  5.456  2.655  O10 A1AZR 10 
A1AZR C36 C7  C 0 1 N N N N N N -31.823 -18.454 -42.323 -6.743  6.431  1.711  C36 A1AZR 11 
A1AZR C30 C8  C 0 1 Y N N N N N -28.901 -14.888 -38.624 -6.974  0.919  2.612  C30 A1AZR 12 
A1AZR C29 C9  C 0 1 Y N N N N N -28.280 -14.591 -37.425 -7.143  -0.344 2.078  C29 A1AZR 13 
A1AZR N3  N1  N 0 1 N N N N N N -27.055 -15.594 -34.299 -8.174  -2.219 -0.757 N3  A1AZR 14 
A1AZR C24 C10 C 0 1 Y N N N N N -27.267 -16.977 -34.358 -6.892  -1.832 -1.132 C24 A1AZR 15 
A1AZR C23 C11 C 0 1 Y N N N N N -28.109 -17.540 -33.388 -5.798  -2.212 -0.366 C23 A1AZR 16 
A1AZR C22 C12 C 0 1 Y N N N N N -28.287 -18.910 -33.337 -4.525  -1.829 -0.737 C22 A1AZR 17 
A1AZR C25 C13 C 0 1 Y N N N N N -26.620 -17.805 -35.285 -6.699  -1.060 -2.289 C25 A1AZR 18 
A1AZR C27 C14 C 0 1 N N N N N N -25.717 -17.273 -36.378 -7.853  -0.656 -3.110 C27 A1AZR 19 
A1AZR O7  O4  O 0 1 N N N N N N -25.386 -16.061 -36.331 -7.664  0.085  -4.220 O7  A1AZR 20 
A1AZR O6  O5  O 0 1 N N N N N N -25.342 -18.057 -37.282 -8.976  -0.992 -2.788 O6  A1AZR 21 
A1AZR C26 C15 C 0 1 Y N N N N N -26.803 -19.190 -35.216 -5.407  -0.676 -2.656 C26 A1AZR 22 
A1AZR C21 C16 C 0 1 Y N N N N N -27.638 -19.739 -34.246 -4.328  -1.059 -1.879 C21 A1AZR 23 
A1AZR N2  N2  N 0 1 N N N N N N -27.851 -21.140 -34.226 -3.031  -0.674 -2.246 N2  A1AZR 24 
A1AZR C20 C17 C 0 1 N N N N N N -28.087 -21.934 -33.151 -2.099  -0.456 -1.298 C20 A1AZR 25 
A1AZR O5  O6  O 0 1 N N N N N N -28.091 -21.531 -31.992 -2.405  -0.496 -0.125 O5  A1AZR 26 
A1AZR C19 C18 C 0 1 N N N N N N -28.365 -23.382 -33.480 -0.675  -0.162 -1.694 C19 A1AZR 27 
A1AZR C18 C19 C 0 1 N N N N N N -27.187 -24.286 -33.171 0.173   0.044  -0.437 C18 A1AZR 28 
A1AZR C17 C20 C 0 1 N N N N N N -26.993 -24.505 -31.687 1.597   0.338  -0.834 C17 A1AZR 29 
A1AZR O4  O7  O 0 1 N N N N N N -27.856 -25.056 -31.007 1.903   0.378  -2.007 O4  A1AZR 30 
A1AZR N1  N3  N 0 1 N N N N N N -25.803 -24.073 -31.195 2.529   0.556  0.115  N1  A1AZR 31 
A1AZR C13 C21 C 0 1 Y N N N N N -25.243 -24.310 -29.914 3.827   0.935  -0.253 C13 A1AZR 32 
A1AZR C12 C22 C 0 1 Y N N N N N -23.871 -24.523 -29.845 4.547   1.813  0.551  C12 A1AZR 33 
A1AZR C11 C23 C 0 1 Y N N N N N -23.239 -24.645 -28.621 5.825   2.193  0.199  C11 A1AZR 34 
A1AZR C14 C24 C 0 1 Y N N N N N -25.995 -24.256 -28.743 4.391   0.431  -1.411 C14 A1AZR 35 
A1AZR C15 C25 C 0 1 Y N N N N N -25.372 -24.390 -27.502 5.686   0.809  -1.777 C15 A1AZR 36 
A1AZR C16 C26 C 0 1 N N N N N N -26.235 -24.338 -26.264 6.293   0.276  -3.009 C16 A1AZR 37 
A1AZR O3  O8  O 0 1 N N N N N N -27.039 -25.283 -26.064 7.419   0.608  -3.323 O3  A1AZR 38 
A1AZR O2  O9  O 0 1 N N N N N N -26.081 -23.377 -25.483 5.600   -0.579 -3.786 O2  A1AZR 39 
A1AZR C10 C27 C 0 1 Y N N N N N -23.987 -24.571 -27.433 6.404   1.701  -0.964 C10 A1AZR 40 
A1AZR N   N4  N 0 1 N N N N N N -23.428 -24.687 -26.138 7.692   2.084  -1.319 N   A1AZR 41 
A1AZR S   S2  S 0 1 N N N N N N -21.885 -24.487 -25.752 8.837   2.323  -0.147 S   A1AZR 42 
A1AZR O   O10 O 0 1 N N N N N N -21.836 -24.582 -24.316 10.068  2.537  -0.825 O   A1AZR 43 
A1AZR O1  O11 O 0 1 N N N N N N -21.052 -25.405 -26.486 8.283   3.256  0.771  O1  A1AZR 44 
A1AZR C7  C28 C 0 1 Y N N N N N -21.356 -22.852 -26.172 9.010   0.805  0.731  C7  A1AZR 45 
A1AZR C6  C29 C 0 1 Y N N N N N -21.946 -21.763 -25.555 9.932   -0.135 0.311  C6  A1AZR 46 
A1AZR C5  C30 C 0 1 Y N N N N N -21.498 -20.490 -25.854 10.068  -1.326 0.999  C5  A1AZR 47 
A1AZR C8  C31 C 0 1 Y N N N N N -20.329 -22.671 -27.083 8.227   0.556  1.843  C8  A1AZR 48 
A1AZR C9  C32 C 0 1 Y N N N N N -19.891 -21.390 -27.362 8.363   -0.635 2.531  C9  A1AZR 49 
A1AZR C4  C33 C 0 1 Y N N N N N -20.470 -20.284 -26.759 9.281   -1.578 2.107  C4  A1AZR 50 
A1AZR C3  C34 C 0 1 N N N N N N -20.045 -18.889 -27.149 9.429   -2.876 2.858  C3  A1AZR 51 
A1AZR C2  C35 C 0 1 N N N N N N -19.518 -17.976 -26.044 8.472   -3.916 2.271  C2  A1AZR 52 
A1AZR C1  C36 C 0 1 N N N N N N -18.269 -18.481 -25.387 8.623   -5.234 3.033  C1  A1AZR 53 
A1AZR C   C37 C 0 1 N N N N N N -17.460 -17.387 -24.728 7.666   -6.274 2.447  C   A1AZR 54 
A1AZR H28 H1  H 0 1 N N N N N N -30.330 -16.302 -35.347 -10.367 -0.097 1.117  H28 A1AZR 55 
A1AZR H27 H2  H 0 1 N N N N N N -31.405 -16.829 -37.495 -10.069 2.150  2.078  H27 A1AZR 56 
A1AZR H29 H3  H 0 1 N N N N N N -30.326 -15.205 -40.725 -8.791  3.547  3.600  H29 A1AZR 57 
A1AZR H30 H4  H 0 1 N N N N N N -31.841 -15.425 -39.786 -7.100  3.154  3.994  H30 A1AZR 58 
A1AZR H31 H5  H 0 1 N N N N N N -31.506 -17.840 -39.754 -6.416  3.796  1.699  H31 A1AZR 59 
A1AZR H32 H6  H 0 1 N N N N N N -29.936 -17.656 -40.607 -8.106  4.189  1.305  H32 A1AZR 60 
A1AZR H35 H7  H 0 1 N N N N N N -32.355 -18.323 -43.277 -7.471  6.518  0.905  H35 A1AZR 61 
A1AZR H33 H8  H 0 1 N N N N N N -30.849 -18.931 -42.509 -6.635  7.395  2.208  H33 A1AZR 62 
A1AZR H34 H9  H 0 1 N N N N N N -32.421 -19.090 -41.654 -5.781  6.125  1.299  H34 A1AZR 63 
A1AZR H26 H10 H 0 1 N N N N N N -28.485 -14.507 -39.545 -6.021  1.205  3.032  H26 A1AZR 64 
A1AZR H25 H11 H 0 1 N N N N N N -27.380 -13.994 -37.410 -6.320  -1.044 2.076  H25 A1AZR 65 
A1AZR H36 H12 H 0 1 N N N N N N -26.273 -15.411 -34.895 -8.833  -2.433 -1.436 H36 A1AZR 66 
A1AZR H23 H13 H 0 1 N N N N N N -28.619 -16.903 -32.680 -5.943  -2.809 0.522  H23 A1AZR 67 
A1AZR H22 H14 H 0 1 N N N N N N -28.934 -19.339 -32.587 -3.678  -2.128 -0.137 H22 A1AZR 68 
A1AZR H37 H15 H 0 1 N N N N N N -24.826 -15.856 -37.071 -8.451  0.325  -4.727 H37 A1AZR 69 
A1AZR H24 H16 H 0 1 N N N N N N -26.295 -19.836 -35.917 -5.250  -0.083 -3.545 H24 A1AZR 70 
A1AZR H21 H17 H 0 1 N N N N N N -27.824 -21.600 -35.113 -2.805  -0.565 -3.183 H21 A1AZR 71 
A1AZR H20 H18 H 0 1 N N N N N N -28.598 -23.461 -34.552 -0.277  -1.000 -2.267 H20 A1AZR 72 
A1AZR H19 H19 H 0 1 N N N N N N -29.231 -23.717 -32.890 -0.646  0.740  -2.304 H19 A1AZR 73 
A1AZR H18 H20 H 0 1 N N N N N N -27.356 -25.261 -33.652 -0.225  0.882  0.135  H18 A1AZR 74 
A1AZR H17 H21 H 0 1 N N N N N N -26.275 -23.828 -33.581 0.144   -0.859 0.172  H17 A1AZR 75 
A1AZR H16 H22 H 0 1 N N N N N N -25.251 -23.516 -31.816 2.302   0.450  1.051  H16 A1AZR 76 
A1AZR H14 H23 H 0 1 N N N N N N -23.294 -24.594 -30.755 4.102   2.200  1.456  H14 A1AZR 77 
A1AZR H13 H24 H 0 1 N N N N N N -22.171 -24.797 -28.578 6.377   2.876  0.828  H13 A1AZR 78 
A1AZR H15 H25 H 0 1 N N N N N N -27.064 -24.110 -28.796 3.832   -0.254 -2.032 H15 A1AZR 79 
A1AZR H38 H26 H 0 1 N N N N N N -26.658 -23.480 -24.735 6.041   -0.902 -4.584 H38 A1AZR 80 
A1AZR H39 H27 H 0 1 N N N N N N -23.925 -24.024 -25.578 7.920   2.212  -2.253 H39 A1AZR 81 
A1AZR H10 H28 H 0 1 N N N N N N -22.749 -21.906 -24.847 10.547  0.061  -0.556 H10 A1AZR 82 
A1AZR H9  H29 H 0 1 N N N N N N -21.958 -19.640 -25.373 10.788  -2.061 0.670  H9  A1AZR 83 
A1AZR H11 H30 H 0 1 N N N N N N -19.875 -23.521 -27.570 7.510   1.293  2.174  H11 A1AZR 84 
A1AZR H12 H31 H 0 1 N N N N N N -19.082 -21.248 -28.063 7.752   -0.829 3.400  H12 A1AZR 85 
A1AZR H7  H32 H 0 1 N N N N N N -19.250 -18.986 -27.903 10.455  -3.233 2.766  H7  A1AZR 86 
A1AZR H8  H33 H 0 1 N N N N N N -20.918 -18.392 -27.598 9.192   -2.717 3.909  H8  A1AZR 87 
A1AZR H6  H34 H 0 1 N N N N N N -19.305 -16.989 -26.481 7.446   -3.559 2.362  H6  A1AZR 88 
A1AZR H5  H35 H 0 1 N N N N N N -20.298 -17.876 -25.275 8.709   -4.076 1.219  H5  A1AZR 89 
A1AZR H3  H36 H 0 1 N N N N N N -18.550 -19.218 -24.620 9.648   -5.592 2.942  H3  A1AZR 90 
A1AZR H4  H37 H 0 1 N N N N N N -17.644 -18.967 -26.151 8.386   -5.075 4.085  H4  A1AZR 91 
A1AZR H2  H38 H 0 1 N N N N N N -16.561 -17.822 -24.267 7.773   -7.214 2.990  H2  A1AZR 92 
A1AZR H   H39 H 0 1 N N N N N N -17.162 -16.646 -25.484 6.641   -5.917 2.538  H   A1AZR 93 
A1AZR H1  H40 H 0 1 N N N N N N -18.068 -16.897 -23.954 7.903   -6.434 1.395  H1  A1AZR 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 
A1AZR C36 O10 SING N N 1  
A1AZR O10 C35 SING N N 2  
A1AZR C35 C34 SING N N 3  
A1AZR C34 C31 SING N N 4  
A1AZR C31 C30 DOUB Y N 5  
A1AZR C31 C32 SING Y N 6  
A1AZR C30 C29 SING Y N 7  
A1AZR C32 C33 DOUB Y N 8  
A1AZR C29 C28 DOUB Y N 9  
A1AZR O6  C27 DOUB N N 10 
A1AZR C27 O7  SING N N 11 
A1AZR C27 C25 SING N N 12 
A1AZR C33 C28 SING Y N 13 
A1AZR C28 S1  SING N N 14 
A1AZR C25 C26 DOUB Y N 15 
A1AZR C25 C24 SING Y N 16 
A1AZR C26 C21 SING Y N 17 
A1AZR O9  S1  DOUB N N 18 
A1AZR S1  N3  SING N N 19 
A1AZR S1  O8  DOUB N N 20 
A1AZR C24 N3  SING N N 21 
A1AZR C24 C23 DOUB Y N 22 
A1AZR C21 N2  SING N N 23 
A1AZR C21 C22 DOUB Y N 24 
A1AZR N2  C20 SING N N 25 
A1AZR C19 C18 SING N N 26 
A1AZR C19 C20 SING N N 27 
A1AZR C23 C22 SING Y N 28 
A1AZR C18 C17 SING N N 29 
A1AZR C20 O5  DOUB N N 30 
A1AZR C17 N1  SING N N 31 
A1AZR C17 O4  DOUB N N 32 
A1AZR N1  C13 SING N N 33 
A1AZR C13 C12 DOUB Y N 34 
A1AZR C13 C14 SING Y N 35 
A1AZR C12 C11 SING Y N 36 
A1AZR C14 C15 DOUB Y N 37 
A1AZR C11 C10 DOUB Y N 38 
A1AZR C15 C10 SING Y N 39 
A1AZR C15 C16 SING N N 40 
A1AZR C10 N   SING N N 41 
A1AZR C9  C8  DOUB Y N 42 
A1AZR C9  C4  SING Y N 43 
A1AZR C3  C4  SING N N 44 
A1AZR C3  C2  SING N N 45 
A1AZR C8  C7  SING Y N 46 
A1AZR C4  C5  DOUB Y N 47 
A1AZR O1  S   DOUB N N 48 
A1AZR C16 O3  DOUB N N 49 
A1AZR C16 O2  SING N N 50 
A1AZR C7  S   SING N N 51 
A1AZR C7  C6  DOUB Y N 52 
A1AZR N   S   SING N N 53 
A1AZR C2  C1  SING N N 54 
A1AZR C5  C6  SING Y N 55 
A1AZR S   O   DOUB N N 56 
A1AZR C1  C   SING N N 57 
A1AZR C33 H28 SING N N 58 
A1AZR C32 H27 SING N N 59 
A1AZR C34 H29 SING N N 60 
A1AZR C34 H30 SING N N 61 
A1AZR C35 H31 SING N N 62 
A1AZR C35 H32 SING N N 63 
A1AZR C36 H35 SING N N 64 
A1AZR C36 H33 SING N N 65 
A1AZR C36 H34 SING N N 66 
A1AZR C30 H26 SING N N 67 
A1AZR C29 H25 SING N N 68 
A1AZR N3  H36 SING N N 69 
A1AZR C23 H23 SING N N 70 
A1AZR C22 H22 SING N N 71 
A1AZR O7  H37 SING N N 72 
A1AZR C26 H24 SING N N 73 
A1AZR N2  H21 SING N N 74 
A1AZR C19 H20 SING N N 75 
A1AZR C19 H19 SING N N 76 
A1AZR C18 H18 SING N N 77 
A1AZR C18 H17 SING N N 78 
A1AZR N1  H16 SING N N 79 
A1AZR C12 H14 SING N N 80 
A1AZR C11 H13 SING N N 81 
A1AZR C14 H15 SING N N 82 
A1AZR O2  H38 SING N N 83 
A1AZR N   H39 SING N N 84 
A1AZR C6  H10 SING N N 85 
A1AZR C5  H9  SING N N 86 
A1AZR C8  H11 SING N N 87 
A1AZR C9  H12 SING N N 88 
A1AZR C3  H7  SING N N 89 
A1AZR C3  H8  SING N N 90 
A1AZR C2  H6  SING N N 91 
A1AZR C2  H5  SING N N 92 
A1AZR C1  H3  SING N N 93 
A1AZR C1  H4  SING N N 94 
A1AZR C   H2  SING N N 95 
A1AZR C   H   SING N N 96 
A1AZR C   H1  SING N N 97 
# 
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 
A1AZR SMILES           ACDLabs              12.01 "O=S(=O)(Nc1ccc(NC(=O)CCC(=O)Nc2cc(C(=O)O)c(NS(=O)(=O)c3ccc(CCCC)cc3)cc2)cc1C(=O)O)c1ccc(CCOC)cc1"                                                                                                                                                                       
A1AZR InChI            InChI                1.06  "InChI=1S/C37H40N4O11S2/c1-3-4-5-24-6-12-28(13-7-24)53(48,49)40-32-16-10-26(22-30(32)36(44)45)38-34(42)18-19-35(43)39-27-11-17-33(31(23-27)37(46)47)41-54(50,51)29-14-8-25(9-15-29)20-21-52-2/h6-17,22-23,40-41H,3-5,18-21H2,1-2H3,(H,38,42)(H,39,43)(H,44,45)(H,46,47)" 
A1AZR InChIKey         InChI                1.06  ZUDKFHHJONZZCP-UHFFFAOYSA-N                                                                                                                                                                                                                                              
A1AZR SMILES_CANONICAL CACTVS               3.385 "CCCCc1ccc(cc1)[S](=O)(=O)Nc2ccc(NC(=O)CCC(=O)Nc3ccc(N[S](=O)(=O)c4ccc(CCOC)cc4)c(c3)C(O)=O)cc2C(O)=O"                                                                                                                                                                   
A1AZR SMILES           CACTVS               3.385 "CCCCc1ccc(cc1)[S](=O)(=O)Nc2ccc(NC(=O)CCC(=O)Nc3ccc(N[S](=O)(=O)c4ccc(CCOC)cc4)c(c3)C(O)=O)cc2C(O)=O"                                                                                                                                                                   
A1AZR SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "CCCCc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2C(=O)O)NC(=O)CCC(=O)Nc3ccc(c(c3)C(=O)O)NS(=O)(=O)c4ccc(cc4)CCOC"                                                                                                                                                                       
A1AZR SMILES           "OpenEye OEToolkits" 2.0.7 "CCCCc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2C(=O)O)NC(=O)CCC(=O)Nc3ccc(c(c3)C(=O)O)NS(=O)(=O)c4ccc(cc4)CCOC"                                                                                                                                                                       
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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 
A1AZR "SYSTEMATIC NAME" ACDLabs              12.01 "2-(4-butylbenzene-1-sulfonamido)-5-(4-{3-carboxy-4-[4-(2-methoxyethyl)benzene-1-sulfonamido]anilino}-4-oxobutanamido)benzoic acid"                       
A1AZR "SYSTEMATIC NAME" "OpenEye OEToolkits" 2.0.7 "2-[(4-butylphenyl)sulfonylamino]-5-[[4-[[3-carboxy-4-[[4-(2-methoxyethyl)phenyl]sulfonylamino]phenyl]amino]-4-oxidanylidene-butanoyl]amino]benzoic acid" 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
A1AZR "Create component" 2024-07-24 RCSB 
A1AZR "Initial release"  2024-09-04 RCSB 
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