data_HI0 # _chem_comp.id HI0 _chem_comp.name "(R)-N-(7-(4-((4'-chlorobiphenyl-2-yl)methyl)piperazin-1-yl)quinazolin-4-yl)-4-(4-(dimethylamino)-1-(phenylthio)butan-2-ylamino)-3-nitrobenzenesulfonamide" _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "C43 H45 Cl N8 O4 S2" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms ? _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2011-02-18 _chem_comp.pdbx_modified_date 2011-06-04 _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 837.452 _chem_comp.one_letter_code ? _chem_comp.three_letter_code HI0 _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 3QKD _chem_comp.pdbx_subcomponent_list ? _chem_comp.pdbx_processing_site PDBJ # 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.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 HI0 C1 C1 C 0 1 N N N -10.737 -39.526 -23.384 -6.227 -0.225 -2.244 C1 HI0 1 HI0 N1 N1 N 0 1 N N N -10.785 -40.948 -23.001 -7.071 -0.495 -1.072 N1 HI0 2 HI0 O1 O1 O 0 1 N N N -3.354 -38.043 -31.214 2.700 -4.845 2.267 O1 HI0 3 HI0 S1 S1 S 0 1 N N N -4.298 -37.081 -30.714 2.607 -4.363 0.933 S1 HI0 4 HI0 CL1 CL1 CL 0 0 N N N -17.501 -37.840 -23.779 -5.171 5.264 0.008 CL1 HI0 5 HI0 C2 C2 C 0 1 N N N -10.950 -41.776 -24.218 -6.975 -1.906 -0.671 C2 HI0 6 HI0 N2 N2 N 0 1 N N N -9.327 -40.228 -25.267 -4.675 -1.970 -1.508 N2 HI0 7 HI0 O2 O2 O 0 1 N N N -3.809 -35.778 -30.361 2.999 -5.127 -0.199 O2 HI0 8 HI0 S2 S2 S 0 1 N N N -10.947 -37.555 -34.328 5.013 3.379 -0.413 S2 HI0 9 HI0 C3 C3 C 0 1 N N N -9.715 -41.636 -25.106 -5.520 -2.240 -0.336 C3 HI0 10 HI0 N3 N3 N 0 1 Y N N -7.265 -41.294 -29.442 -0.112 -2.363 -2.922 N3 HI0 11 HI0 O3 O3 O 0 1 N N N -7.602 -33.392 -31.662 4.936 -0.801 4.287 O3 HI0 12 HI0 C4 C4 C 0 1 N N N -9.440 -39.289 -24.142 -4.772 -0.560 -1.909 C4 HI0 13 HI0 N4 N4 N 0 1 Y N N -5.690 -39.909 -30.509 1.493 -3.225 -1.495 N4 HI0 14 HI0 O4 O4 O -1 1 N N N -8.748 -33.759 -33.325 4.751 1.001 3.207 O4 HI0 15 HI0 C5 C5 C 0 1 N N N -11.891 -41.234 -22.065 -8.467 -0.115 -1.330 C5 HI0 16 HI0 N5 N5 N 0 1 N N N -5.028 -37.719 -29.392 1.021 -3.952 0.694 N5 HI0 17 HI0 C6 C6 C 0 1 Y N N -11.798 -40.398 -20.795 -9.249 -0.172 -0.043 C6 HI0 18 HI0 N6 N6 N 1 1 N N N -7.862 -34.145 -32.581 4.745 -0.216 3.236 N6 HI0 19 HI0 C7 C7 C 0 1 Y N N -10.757 -40.675 -19.892 -10.143 -1.200 0.177 C7 HI0 20 HI0 N7 N7 N 0 1 N N N -8.405 -35.936 -34.701 5.764 0.649 0.741 N7 HI0 21 HI0 C8 C8 C 0 1 Y N N -10.635 -39.937 -18.712 -10.862 -1.253 1.358 C8 HI0 22 HI0 N8 N8 N 0 1 N N N -10.469 -36.022 -39.122 8.909 -1.819 -0.776 N8 HI0 23 HI0 C9 C9 C 0 1 Y N N -11.548 -38.918 -18.433 -10.689 -0.279 2.324 C9 HI0 24 HI0 C10 C10 C 0 1 Y N N -12.585 -38.645 -19.328 -9.797 0.753 2.115 C10 HI0 25 HI0 C11 C11 C 0 1 Y N N -12.725 -39.382 -20.516 -9.066 0.809 0.930 C11 HI0 26 HI0 C12 C12 C 0 1 Y N N -13.778 -39.071 -21.392 -8.101 1.913 0.701 C12 HI0 27 HI0 C13 C13 C 0 1 Y N N -13.834 -37.822 -22.017 -8.226 2.730 -0.420 C13 HI0 28 HI0 C14 C14 C 0 1 Y N N -14.954 -37.431 -22.755 -7.326 3.756 -0.628 C14 HI0 29 HI0 C15 C15 C 0 1 Y N N -16.037 -38.304 -22.864 -6.300 3.973 0.275 C15 HI0 30 HI0 C16 C16 C 0 1 Y N N -15.990 -39.550 -22.250 -6.171 3.163 1.391 C16 HI0 31 HI0 C17 C17 C 0 1 Y N N -14.872 -39.932 -21.506 -7.069 2.139 1.611 C17 HI0 32 HI0 C18 C18 C 0 1 Y N N -8.469 -39.907 -26.269 -3.352 -2.331 -1.263 C18 HI0 33 HI0 C19 C19 C 0 1 Y N N -8.303 -40.772 -27.355 -2.402 -2.152 -2.250 C19 HI0 34 HI0 C20 C20 C 0 1 Y N N -7.743 -38.712 -26.215 -2.999 -2.869 -0.021 C20 HI0 35 HI0 C21 C21 C 0 1 Y N N -6.860 -38.384 -27.238 -1.713 -3.229 0.244 C21 HI0 36 HI0 C22 C22 C 0 1 Y N N -6.702 -39.254 -28.322 -0.729 -3.060 -0.738 C22 HI0 37 HI0 C23 C23 C 0 1 Y N N -7.421 -40.449 -28.385 -1.075 -2.515 -1.999 C23 HI0 38 HI0 C24 C24 C 0 1 Y N N -6.431 -41.025 -30.467 1.124 -2.713 -2.657 C24 HI0 39 HI0 C25 C25 C 0 1 Y N N -5.797 -38.945 -29.415 0.622 -3.418 -0.513 C25 HI0 40 HI0 C26 C26 C 0 1 Y N N -5.458 -36.801 -31.858 3.546 -2.873 0.876 C26 HI0 41 HI0 C27 C27 C 0 1 Y N N -6.193 -35.625 -31.803 3.770 -2.154 2.036 C27 HI0 42 HI0 C28 C28 C 0 1 Y N N -7.188 -35.323 -32.736 4.506 -0.985 1.995 C28 HI0 43 HI0 C29 C29 C 0 1 Y N N -7.444 -36.222 -33.779 5.020 -0.533 0.786 C29 HI0 44 HI0 C30 C30 C 0 1 Y N N -6.699 -37.406 -33.849 4.793 -1.258 -0.377 C30 HI0 45 HI0 C31 C31 C 0 1 Y N N -5.712 -37.695 -32.902 4.062 -2.428 -0.328 C31 HI0 46 HI0 C32 C32 C 0 1 N N R -8.776 -36.782 -35.843 6.436 1.044 -0.499 C32 HI0 47 HI0 C33 C33 C 0 1 N N N -9.547 -35.924 -36.848 7.799 0.355 -0.583 C33 HI0 48 HI0 C34 C34 C 0 1 N N N -9.253 -36.234 -38.314 7.600 -1.158 -0.696 C34 HI0 49 HI0 C35 C35 C 0 1 N N N -10.579 -37.092 -40.128 8.772 -3.276 -0.646 C35 HI0 50 HI0 C36 C36 C 0 1 N N N -10.425 -34.716 -39.801 9.602 -1.464 -2.022 C36 HI0 51 HI0 C37 C37 C 0 1 N N N -9.629 -37.996 -35.431 6.629 2.562 -0.513 C37 HI0 52 HI0 C38 C38 C 0 1 Y N N -10.443 -37.586 -32.699 5.431 5.090 -0.441 C38 HI0 53 HI0 C39 C39 C 0 1 Y N N -9.951 -38.766 -32.140 4.431 6.053 -0.380 C39 HI0 54 HI0 C40 C40 C 0 1 Y N N -9.532 -38.793 -30.809 4.762 7.393 -0.401 C40 HI0 55 HI0 C41 C41 C 0 1 Y N N -9.597 -37.630 -30.035 6.088 7.778 -0.484 C41 HI0 56 HI0 C42 C42 C 0 1 Y N N -10.088 -36.449 -30.594 7.086 6.823 -0.546 C42 HI0 57 HI0 C43 C43 C 0 1 Y N N -10.509 -36.426 -31.924 6.763 5.481 -0.518 C43 HI0 58 HI0 H1 H1 H 0 1 N N N -11.597 -39.280 -24.024 -6.558 -0.841 -3.080 H1 HI0 59 HI0 H1A H1A H 0 1 N N N -10.768 -38.893 -22.485 -6.306 0.828 -2.514 H1A HI0 60 HI0 H2 H2 H 0 1 N N N -11.075 -42.830 -23.929 -7.599 -2.078 0.206 H2 HI0 61 HI0 H2A H2A H 0 1 N N N -11.839 -41.439 -24.772 -7.315 -2.540 -1.489 H2A HI0 62 HI0 H3 H3 H 0 1 N N N -8.881 -42.183 -24.643 -5.189 -1.624 0.501 H3 HI0 63 HI0 H3A H3A H 0 1 N N N -9.940 -42.058 -26.097 -5.441 -3.293 -0.066 H3A HI0 64 HI0 H4 H4 H 0 1 N N N -9.430 -38.259 -24.528 -4.148 -0.388 -2.786 H4 HI0 65 HI0 H4A H4A H 0 1 N N N -8.590 -39.438 -23.460 -4.432 0.075 -1.091 H4A HI0 66 HI0 H5 H5 H 0 1 N N N -12.843 -41.006 -22.567 -8.499 0.898 -1.730 H5 HI0 67 HI0 H5A H5A H 0 1 N N N -11.850 -42.298 -21.788 -8.904 -0.805 -2.051 H5A HI0 68 HI0 HN5 HN5 H 0 1 N N N -4.286 -37.891 -28.744 0.373 -4.087 1.403 HN5 HI0 69 HI0 H7 H7 H 0 1 N N N -10.049 -41.461 -20.111 -10.283 -1.963 -0.574 H7 HI0 70 HI0 HN7 HN7 H 0 1 N N N -9.246 -35.857 -34.166 5.836 1.207 1.531 HN7 HI0 71 HI0 H8 H8 H 0 1 N N N -9.837 -40.154 -18.018 -11.562 -2.059 1.526 H8 HI0 72 HI0 H9 H9 H 0 1 N N N -11.452 -38.341 -17.525 -11.253 -0.325 3.244 H9 HI0 73 HI0 H10 H10 H 0 1 N N N -13.289 -37.857 -19.104 -9.662 1.514 2.869 H10 HI0 74 HI0 H13 H13 H 0 1 N N N -12.996 -37.147 -21.928 -9.026 2.561 -1.126 H13 HI0 75 HI0 H14 H14 H 0 1 N N N -14.981 -36.464 -23.236 -7.423 4.390 -1.497 H14 HI0 76 HI0 H16 H16 H 0 1 N N N -16.825 -40.228 -22.349 -5.369 3.337 2.093 H16 HI0 77 HI0 H17 H17 H 0 1 N N N -14.853 -40.895 -21.018 -6.970 1.511 2.484 H17 HI0 78 HI0 H19 H19 H 0 1 N N N -8.861 -41.696 -27.396 -2.682 -1.736 -3.206 H19 HI0 79 HI0 H20 H20 H 0 1 N N N -7.869 -38.043 -25.377 -3.757 -3.001 0.738 H20 HI0 80 HI0 H21 H21 H 0 1 N N N -6.299 -37.462 -27.196 -1.454 -3.643 1.207 H21 HI0 81 HI0 H24 H24 H 0 1 N N N -6.358 -41.732 -31.280 1.874 -2.576 -3.422 H24 HI0 82 HI0 H27 H27 H 0 1 N N N -5.989 -34.919 -31.012 3.370 -2.506 2.975 H27 HI0 83 HI0 H30 H30 H 0 1 N N N -6.890 -38.107 -34.648 5.192 -0.908 -1.318 H30 HI0 84 HI0 H31 H31 H 0 1 N N N -5.145 -38.611 -32.977 3.889 -2.994 -1.231 H31 HI0 85 HI0 H32 H32 H 0 1 N N N -7.853 -37.181 -36.288 5.826 0.748 -1.353 H32 HI0 86 HI0 H33 H33 H 0 1 N N N -10.621 -36.093 -36.679 8.336 0.717 -1.460 H33 HI0 87 HI0 H33A H33A H 0 0 N N N -9.277 -34.873 -36.667 8.376 0.580 0.314 H33A HI0 88 HI0 H34 H34 H 0 1 N N N -8.930 -37.281 -38.408 7.023 -1.383 -1.593 H34 HI0 89 HI0 H34A H34A H 0 0 N N N -8.455 -35.569 -38.675 7.063 -1.520 0.182 H34A HI0 90 HI0 H35 H35 H 0 1 N N N -11.485 -36.936 -40.732 8.139 -3.654 -1.449 H35 HI0 91 HI0 H35A H35A H 0 0 N N N -9.695 -37.073 -40.782 9.756 -3.741 -0.710 H35A HI0 92 HI0 H35B H35B H 0 0 N N N -10.639 -38.067 -39.621 8.319 -3.514 0.316 H35B HI0 93 HI0 H36 H36 H 0 1 N N N -11.340 -34.581 -40.396 9.753 -0.386 -2.059 H36 HI0 94 HI0 H36A H36A H 0 0 N N N -10.354 -33.915 -39.050 10.569 -1.968 -2.056 H36A HI0 95 HI0 H36B H36B H 0 0 N N N -9.548 -34.677 -40.464 9.000 -1.777 -2.875 H36B HI0 96 HI0 H37 H37 H 0 1 N N N -8.978 -38.724 -34.924 7.129 2.856 -1.436 H37 HI0 97 HI0 H37A H37A H 0 0 N N N -10.066 -38.439 -36.338 7.239 2.858 0.341 H37A HI0 98 HI0 H39 H39 H 0 1 N N N -9.894 -39.662 -32.740 3.395 5.753 -0.315 H39 HI0 99 HI0 H40 H40 H 0 1 N N N -9.158 -39.710 -30.378 3.985 8.142 -0.354 H40 HI0 100 HI0 H41 H41 H 0 1 N N N -9.268 -37.646 -29.007 6.345 8.827 -0.502 H41 HI0 101 HI0 H42 H42 H 0 1 N N N -10.142 -35.551 -29.996 8.121 7.127 -0.611 H42 HI0 102 HI0 H43 H43 H 0 1 N N N -10.886 -35.510 -32.355 7.543 4.735 -0.561 H43 HI0 103 # 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 HI0 C1 N1 SING N N 1 HI0 C1 C4 SING N N 2 HI0 N1 C2 SING N N 3 HI0 N1 C5 SING N N 4 HI0 O1 S1 DOUB N N 5 HI0 S1 O2 DOUB N N 6 HI0 S1 N5 SING N N 7 HI0 S1 C26 SING N N 8 HI0 CL1 C15 SING N N 9 HI0 C2 C3 SING N N 10 HI0 N2 C3 SING N N 11 HI0 N2 C4 SING N N 12 HI0 N2 C18 SING N N 13 HI0 S2 C37 SING N N 14 HI0 S2 C38 SING N N 15 HI0 N3 C23 DOUB Y N 16 HI0 N3 C24 SING Y N 17 HI0 O3 N6 DOUB N N 18 HI0 N4 C24 DOUB Y N 19 HI0 N4 C25 SING Y N 20 HI0 O4 N6 SING N N 21 HI0 C5 C6 SING N N 22 HI0 N5 C25 SING N N 23 HI0 C6 C7 DOUB Y N 24 HI0 C6 C11 SING Y N 25 HI0 N6 C28 SING N N 26 HI0 C7 C8 SING Y N 27 HI0 N7 C29 SING N N 28 HI0 N7 C32 SING N N 29 HI0 C8 C9 DOUB Y N 30 HI0 N8 C34 SING N N 31 HI0 N8 C35 SING N N 32 HI0 N8 C36 SING N N 33 HI0 C9 C10 SING Y N 34 HI0 C10 C11 DOUB Y N 35 HI0 C11 C12 SING Y N 36 HI0 C12 C13 DOUB Y N 37 HI0 C12 C17 SING Y N 38 HI0 C13 C14 SING Y N 39 HI0 C14 C15 DOUB Y N 40 HI0 C15 C16 SING Y N 41 HI0 C16 C17 DOUB Y N 42 HI0 C18 C19 DOUB Y N 43 HI0 C18 C20 SING Y N 44 HI0 C19 C23 SING Y N 45 HI0 C20 C21 DOUB Y N 46 HI0 C21 C22 SING Y N 47 HI0 C22 C23 SING Y N 48 HI0 C22 C25 DOUB Y N 49 HI0 C26 C27 DOUB Y N 50 HI0 C26 C31 SING Y N 51 HI0 C27 C28 SING Y N 52 HI0 C28 C29 DOUB Y N 53 HI0 C29 C30 SING Y N 54 HI0 C30 C31 DOUB Y N 55 HI0 C32 C33 SING N N 56 HI0 C32 C37 SING N N 57 HI0 C33 C34 SING N N 58 HI0 C38 C39 DOUB Y N 59 HI0 C38 C43 SING Y N 60 HI0 C39 C40 SING Y N 61 HI0 C40 C41 DOUB Y N 62 HI0 C41 C42 SING Y N 63 HI0 C42 C43 DOUB Y N 64 HI0 C1 H1 SING N N 65 HI0 C1 H1A SING N N 66 HI0 C2 H2 SING N N 67 HI0 C2 H2A SING N N 68 HI0 C3 H3 SING N N 69 HI0 C3 H3A SING N N 70 HI0 C4 H4 SING N N 71 HI0 C4 H4A SING N N 72 HI0 C5 H5 SING N N 73 HI0 C5 H5A SING N N 74 HI0 N5 HN5 SING N N 75 HI0 C7 H7 SING N N 76 HI0 N7 HN7 SING N N 77 HI0 C8 H8 SING N N 78 HI0 C9 H9 SING N N 79 HI0 C10 H10 SING N N 80 HI0 C13 H13 SING N N 81 HI0 C14 H14 SING N N 82 HI0 C16 H16 SING N N 83 HI0 C17 H17 SING N N 84 HI0 C19 H19 SING N N 85 HI0 C20 H20 SING N N 86 HI0 C21 H21 SING N N 87 HI0 C24 H24 SING N N 88 HI0 C27 H27 SING N N 89 HI0 C30 H30 SING N N 90 HI0 C31 H31 SING N N 91 HI0 C32 H32 SING N N 92 HI0 C33 H33 SING N N 93 HI0 C33 H33A SING N N 94 HI0 C34 H34 SING N N 95 HI0 C34 H34A SING N N 96 HI0 C35 H35 SING N N 97 HI0 C35 H35A SING N N 98 HI0 C35 H35B SING N N 99 HI0 C36 H36 SING N N 100 HI0 C36 H36A SING N N 101 HI0 C36 H36B SING N N 102 HI0 C37 H37 SING N N 103 HI0 C37 H37A SING N N 104 HI0 C39 H39 SING N N 105 HI0 C40 H40 SING N N 106 HI0 C41 H41 SING N N 107 HI0 C42 H42 SING N N 108 HI0 C43 H43 SING N N 109 # 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 HI0 SMILES ACDLabs 12.01 "[O-][N+](=O)c2cc(ccc2NC(CCN(C)C)CSc1ccccc1)S(=O)(=O)Nc7ncnc6cc(N5CCN(Cc4c(c3ccc(Cl)cc3)cccc4)CC5)ccc67" HI0 SMILES_CANONICAL CACTVS 3.370 "CN(C)CC[C@H](CSc1ccccc1)Nc2ccc(cc2[N+]([O-])=O)[S](=O)(=O)Nc3ncnc4cc(ccc34)N5CCN(CC5)Cc6ccccc6c7ccc(Cl)cc7" HI0 SMILES CACTVS 3.370 "CN(C)CC[CH](CSc1ccccc1)Nc2ccc(cc2[N+]([O-])=O)[S](=O)(=O)Nc3ncnc4cc(ccc34)N5CCN(CC5)Cc6ccccc6c7ccc(Cl)cc7" HI0 SMILES_CANONICAL "OpenEye OEToolkits" 1.7.0 "CN(C)CC[C@H](CSc1ccccc1)Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)Nc3c4ccc(cc4ncn3)N5CCN(CC5)Cc6ccccc6c7ccc(cc7)Cl" HI0 SMILES "OpenEye OEToolkits" 1.7.0 "CN(C)CCC(CSc1ccccc1)Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)Nc3c4ccc(cc4ncn3)N5CCN(CC5)Cc6ccccc6c7ccc(cc7)Cl" HI0 InChI InChI 1.03 ;InChI=1S/C43H45ClN8O4S2/c1-49(2)21-20-34(29-57-36-9-4-3-5-10-36)47-40-19-17-37(27-42(40)52(53)54)58(55,56)48-43-39-18-16-35(26-41(39)45-30-46-43)51-24-22-50(23-25-51)28-32-8-6-7-11-38(32)31-12-14-33(44)15-13-31/h3-19,26-27,30,34,47H,20-25,28-29H2,1-2H3,(H,45,46,48)/t34-/m1/s1 ; HI0 InChIKey InChI 1.03 LLJSSTLCMHGPSB-UUWRZZSWSA-N # 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 HI0 "SYSTEMATIC NAME" ACDLabs 12.01 "N-(7-{4-[(4'-chlorobiphenyl-2-yl)methyl]piperazin-1-yl}quinazolin-4-yl)-4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrobenzenesulfonamide" HI0 "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.7.0 "N-[7-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]quinazolin-4-yl]-4-[[(2R)-4-(dimethylamino)-1-phenylsulfanyl-butan-2-yl]amino]-3-nitro-benzenesulfonamide" # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site HI0 "Create component" 2011-02-18 PDBJ HI0 "Modify aromatic_flag" 2011-06-04 RCSB HI0 "Modify descriptor" 2011-06-04 RCSB #