data_7P7 # _chem_comp.id 7P7 _chem_comp.name "N-[6-({2-[(3S)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}oxy)hexyl]-2-(4-{2-[N-(1,1-dioxo-1lambda~6~-thian-4-yl)carbamimidoyl]-5-methyl-4-oxo-4,5-dihydrothieno[3,2-c]pyridin-7-yl}-2-methoxyphenoxy)acetamide" _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "C42 H46 N6 O11 S2" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms ? _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2016-11-28 _chem_comp.pdbx_modified_date 2017-09-22 _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 874.978 _chem_comp.one_letter_code ? _chem_comp.three_letter_code 7P7 _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 5TWX _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.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 7P7 C1 C1 C 0 1 Y N N -56.744 -4.780 -7.921 9.984 2.227 -0.858 C1 7P7 1 7P7 C2 C2 C 0 1 Y N N -56.443 -4.974 -6.496 8.630 2.152 -0.525 C2 7P7 2 7P7 C3 C3 C 0 1 Y N N -58.716 -3.994 -6.941 9.894 -0.007 -0.254 C3 7P7 3 7P7 C4 C4 C 0 1 N N N -60.064 -3.412 -6.693 10.385 -1.373 -0.010 C4 7P7 4 7P7 C5 C5 C 0 1 N N N -61.675 -1.746 -7.613 10.007 -3.707 0.688 C5 7P7 5 7P7 C6 C6 C 0 1 N N N -61.401 -0.248 -7.732 9.119 -4.382 1.728 C6 7P7 6 7P7 S S1 S 0 1 Y N N -57.745 -4.464 -5.560 8.237 0.519 -0.007 S 7P7 7 7P7 O1 O1 O 0 1 N N N -62.217 0.144 -10.572 8.525 -7.067 0.290 O1 7P7 8 7P7 O2 O2 O 0 1 N N N -64.389 0.750 -9.915 10.662 -7.940 1.119 O2 7P7 9 7P7 N1 N1 N 0 1 N N N -60.854 -3.863 -5.823 11.640 -1.664 -0.225 N1 7P7 10 7P7 C7 C7 C 0 1 N N N -62.616 0.591 -8.111 9.755 -5.698 2.183 C7 7P7 11 7P7 C8 C8 C 0 1 N N N -63.583 -1.578 -9.300 10.729 -5.817 -0.449 C8 7P7 12 7P7 N2 N2 N 0 1 N N N -53.421 -7.377 2.143 -0.879 1.719 -0.276 N2 7P7 13 7P7 N N3 N 0 1 N N N -60.379 -2.370 -7.456 9.519 -2.347 0.445 N 7P7 14 7P7 C C9 C 0 1 N N N -55.678 -5.189 -8.868 10.501 3.529 -1.317 C 7P7 15 7P7 O O3 O 0 1 N N N -55.859 -5.056 -10.097 11.677 3.642 -1.619 O 7P7 16 7P7 C10 C10 C 0 1 Y N N -58.054 -4.214 -8.156 10.649 1.008 -0.688 C10 7P7 17 7P7 C11 C11 C 0 1 N N N -55.133 -5.546 -6.080 7.803 3.359 -0.647 C11 7P7 18 7P7 C12 C12 C 0 1 Y N N -54.780 -5.773 -4.654 6.362 3.312 -0.301 C12 7P7 19 7P7 C13 C13 C 0 1 Y N N -54.996 -4.772 -3.720 5.878 4.059 0.773 C13 7P7 20 7P7 C14 C14 C 0 1 Y N N -54.672 -4.986 -2.392 4.533 4.013 1.092 C14 7P7 21 7P7 C15 C15 C 0 1 N N N -54.168 -2.777 -1.692 5.004 5.528 2.865 C15 7P7 22 7P7 C16 C16 C 0 1 Y N N -54.073 -6.278 -1.981 3.665 3.223 0.342 C16 7P7 23 7P7 C17 C17 C 0 1 N N N -54.776 -6.561 0.312 1.510 2.348 -0.154 C17 7P7 24 7P7 C18 C18 C 0 1 N N N -54.196 -6.394 1.696 0.089 2.425 0.341 C18 7P7 25 7P7 C19 C19 C 0 1 N N N -52.876 -7.336 3.487 -2.260 1.794 0.205 C19 7P7 26 7P7 C20 C20 C 0 1 N N N -51.395 -7.693 3.530 -3.152 0.904 -0.663 C20 7P7 27 7P7 C21 C21 C 0 1 N N N -50.630 -6.753 4.452 -4.595 0.983 -0.161 C21 7P7 28 7P7 C22 C22 C 0 1 N N N -50.729 -5.322 3.942 -5.487 0.093 -1.029 C22 7P7 29 7P7 C23 C23 C 0 1 N N N -49.655 -4.442 4.567 -6.930 0.171 -0.527 C23 7P7 30 7P7 C24 C24 C 0 1 N N N -48.283 -5.068 4.358 -7.821 -0.719 -1.395 C24 7P7 31 7P7 C25 C25 C 0 1 Y N N -46.471 -5.759 5.804 -10.093 -1.381 -1.591 C25 7P7 32 7P7 C26 C26 C 0 1 Y N N -46.315 -6.976 5.143 -9.714 -2.168 -2.678 C26 7P7 33 7P7 C27 C27 C 0 1 Y N N -45.218 -7.812 5.393 -10.650 -2.922 -3.354 C27 7P7 34 7P7 C28 C28 C 0 1 Y N N -44.214 -7.497 6.315 -11.983 -2.908 -2.964 C28 7P7 35 7P7 C29 C29 C 0 1 Y N N -44.313 -6.301 7.011 -12.378 -2.133 -1.888 C29 7P7 36 7P7 C30 C30 C 0 1 N N N -43.500 -5.603 8.044 -13.670 -1.884 -1.215 C30 7P7 37 7P7 C31 C31 C 0 1 N N S -43.466 -3.453 9.437 -14.513 -0.537 0.699 C31 7P7 38 7P7 C32 C32 C 0 1 N N N -41.997 -3.247 9.187 -14.369 0.951 0.884 C32 7P7 39 7P7 C33 C33 C 0 1 N N N -41.533 -3.071 11.502 -12.983 0.689 2.767 C33 7P7 40 7P7 C34 C34 C 0 1 N N N -43.007 -3.016 11.816 -13.048 -0.813 2.691 C34 7P7 41 7P7 C35 C35 C 0 1 N N N -43.711 -3.955 10.852 -14.381 -1.228 2.060 C35 7P7 42 7P7 C36 C36 C 0 1 Y N N -45.436 -5.384 6.790 -11.426 -1.359 -1.191 C36 7P7 43 7P7 C37 C37 C 0 1 N N N -45.131 -4.269 7.724 -12.170 -0.668 -0.123 C37 7P7 44 7P7 C38 C38 C 0 1 Y N N -53.868 -7.252 -2.950 4.148 2.481 -0.725 C38 7P7 45 7P7 C39 C39 C 0 1 Y N N -54.216 -6.990 -4.274 5.488 2.528 -1.051 C39 7P7 46 7P7 C40 C40 C 0 1 N N N -54.217 -5.888 -7.072 8.364 4.517 -1.079 C40 7P7 47 7P7 C41 C41 C 0 1 N N N -53.442 -6.117 -9.358 10.230 5.868 -1.865 C41 7P7 48 7P7 C9 C42 C 0 1 N N N -62.313 -2.307 -8.881 9.990 -4.489 -0.623 C9 7P7 49 7P7 N3 N4 N 0 1 N N N -44.005 -4.416 8.440 -13.465 -1.023 -0.201 N3 7P7 50 7P7 N4 N5 N 0 1 N N N -41.169 -3.053 10.218 -13.627 1.460 1.878 N4 7P7 51 7P7 N5 N6 N 0 1 N N N -54.465 -5.727 -8.385 9.683 4.589 -1.404 N5 7P7 52 7P7 O10 O4 O 0 1 N N N -54.445 -5.398 2.355 -0.184 3.123 1.294 O10 7P7 53 7P7 O3 O5 O 0 1 N N N -54.890 -3.986 -1.491 4.058 4.740 2.139 O3 7P7 54 7P7 O4 O6 O 0 1 N N N -53.742 -6.498 -0.669 2.343 3.179 0.657 O4 7P7 55 7P7 O5 O7 O 0 1 N N N -47.543 -4.942 5.567 -9.169 -0.645 -0.926 O5 7P7 56 7P7 O6 O8 O 0 1 N N N -40.720 -3.132 12.410 -12.337 1.212 3.650 O6 7P7 57 7P7 O7 O9 O 0 1 N N N -41.591 -3.256 8.036 -14.935 1.702 0.119 O7 7P7 58 7P7 O8 O10 O 0 1 N N N -42.408 -6.097 8.509 -14.738 -2.372 -1.525 O8 7P7 59 7P7 O9 O11 O 0 1 N N N -45.891 -3.240 7.839 -11.692 0.095 0.694 O9 7P7 60 7P7 S1 S2 S 0 1 N N N -63.212 0.018 -9.545 9.842 -6.833 0.767 S1 7P7 61 7P7 H1 H1 H 0 1 N N N -62.321 -1.944 -6.745 11.029 -3.659 1.064 H1 7P7 62 7P7 H2 H2 H 0 1 N N N -60.629 -0.100 -8.501 9.001 -3.721 2.587 H2 7P7 63 7P7 H3 H3 H 0 1 N N N -61.026 0.110 -6.762 8.141 -4.586 1.292 H3 7P7 64 7P7 H4 H4 H 0 1 N N N -60.466 -4.644 -5.333 12.249 -0.980 -0.544 H4 7P7 65 7P7 H5 H5 H 0 1 N N N -62.320 1.644 -8.225 10.759 -5.507 2.560 H5 7P7 66 7P7 H6 H6 H 0 1 N N N -63.385 0.508 -7.328 9.147 -6.143 2.972 H6 7P7 67 7P7 H7 H7 H 0 1 N N N -64.341 -1.666 -8.507 10.766 -6.341 -1.404 H7 7P7 68 7P7 H8 H8 H 0 1 N N N -63.973 -2.016 -10.231 11.743 -5.627 -0.098 H8 7P7 69 7P7 H9 H9 H 0 1 N N N -53.212 -8.152 1.547 -0.660 1.161 -1.039 H9 7P7 70 7P7 H10 H10 H 0 1 N N N -59.631 -1.969 -7.985 8.587 -2.131 0.604 H10 7P7 71 7P7 H11 H11 H 0 1 N N N -58.464 -3.992 -9.130 11.702 0.893 -0.902 H11 7P7 72 7P7 H12 H12 H 0 1 N N N -55.417 -3.826 -4.028 6.552 4.671 1.354 H12 7P7 73 7P7 H13 H13 H 0 1 N N N -54.431 -2.057 -0.904 4.495 6.055 3.671 H13 7P7 74 7P7 H14 H14 H 0 1 N N N -53.088 -2.984 -1.653 5.772 4.878 3.284 H14 7P7 75 7P7 H15 H15 H 0 1 N N N -54.426 -2.355 -2.675 5.466 6.250 2.193 H15 7P7 76 7P7 H16 H16 H 0 1 N N N -55.504 -5.758 0.124 1.860 1.317 -0.097 H16 7P7 77 7P7 H17 H17 H 0 1 N N N -55.281 -7.536 0.245 1.554 2.689 -1.189 H17 7P7 78 7P7 H18 H18 H 0 1 N N N -53.005 -6.320 3.889 -2.304 1.453 1.239 H18 7P7 79 7P7 H19 H19 H 0 1 N N N -53.429 -8.051 4.113 -2.610 2.825 0.148 H19 7P7 80 7P7 H20 H20 H 0 1 N N N -51.285 -8.724 3.897 -3.109 1.245 -1.698 H20 7P7 81 7P7 H21 H21 H 0 1 N N N -50.978 -7.618 2.515 -2.803 -0.127 -0.606 H21 7P7 82 7P7 H22 H22 H 0 1 N N N -51.058 -6.809 5.464 -4.639 0.641 0.873 H22 7P7 83 7P7 H23 H23 H 0 1 N N N -49.573 -7.055 4.484 -4.944 2.013 -0.218 H23 7P7 84 7P7 H24 H24 H 0 1 N N N -50.604 -5.321 2.849 -5.443 0.434 -2.064 H24 7P7 85 7P7 H25 H25 H 0 1 N N N -51.719 -4.917 4.198 -5.137 -0.938 -0.972 H25 7P7 86 7P7 H26 H26 H 0 1 N N N -49.678 -3.449 4.095 -6.973 -0.170 0.507 H26 7P7 87 7P7 H27 H27 H 0 1 N N N -49.849 -4.341 5.645 -7.279 1.202 -0.584 H27 7P7 88 7P7 H28 H28 H 0 1 N N N -48.395 -6.131 4.100 -7.778 -0.377 -2.430 H28 7P7 89 7P7 H29 H29 H 0 1 N N N -47.757 -4.547 3.544 -7.472 -1.749 -1.338 H29 7P7 90 7P7 H30 H30 H 0 1 N N N -47.057 -7.282 4.421 -8.681 -2.188 -2.992 H30 7P7 91 7P7 H31 H31 H 0 1 N N N -45.144 -8.742 4.849 -10.345 -3.527 -4.194 H31 7P7 92 7P7 H32 H32 H 0 1 N N N -43.384 -8.167 6.481 -12.709 -3.501 -3.500 H32 7P7 93 7P7 H33 H33 H 0 1 N N N -43.982 -2.489 9.316 -15.491 -0.758 0.272 H33 7P7 94 7P7 H34 H34 H 0 1 N N N -43.382 -1.990 11.683 -12.225 -1.183 2.079 H34 7P7 95 7P7 H35 H35 H 0 1 N N N -43.183 -3.340 12.852 -12.972 -1.233 3.694 H35 7P7 96 7P7 H36 H36 H 0 1 N N N -44.791 -3.964 11.062 -15.203 -0.922 2.707 H36 7P7 97 7P7 H37 H37 H 0 1 N N N -43.308 -4.972 10.961 -14.402 -2.310 1.925 H37 7P7 98 7P7 H38 H38 H 0 1 N N N -53.442 -8.207 -2.679 3.473 1.869 -1.304 H38 7P7 99 7P7 H39 H39 H 0 1 N N N -54.045 -7.748 -5.024 5.861 1.952 -1.886 H39 7P7 100 7P7 H40 H40 H 0 1 N N N -53.265 -6.301 -6.774 7.749 5.400 -1.168 H40 7P7 101 7P7 H41 H41 H 0 1 N N N -52.564 -6.515 -8.828 11.292 5.753 -2.080 H41 7P7 102 7P7 H42 H42 H 0 1 N N N -53.848 -6.890 -10.027 9.708 6.182 -2.768 H42 7P7 103 7P7 H43 H43 H 0 1 N N N -53.146 -5.239 -9.950 10.096 6.620 -1.087 H43 7P7 104 7P7 H44 H44 H 0 1 N N N -62.561 -3.364 -8.707 8.958 -4.684 -0.914 H44 7P7 105 7P7 H45 H45 H 0 1 N N N -61.583 -2.232 -9.700 10.478 -3.901 -1.401 H45 7P7 106 7P7 H46 H46 H 0 1 N N N -40.206 -2.882 10.012 -13.553 2.424 1.958 H46 7P7 107 # 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 7P7 O1 S1 DOUB N N 1 7P7 O C DOUB N N 2 7P7 O2 S1 DOUB N N 3 7P7 S1 C8 SING N N 4 7P7 S1 C7 SING N N 5 7P7 C41 N5 SING N N 6 7P7 C8 C9 SING N N 7 7P7 C9 C5 SING N N 8 7P7 C N5 SING N N 9 7P7 C C1 SING N N 10 7P7 N5 C40 SING N N 11 7P7 C10 C1 SING Y N 12 7P7 C10 C3 DOUB Y N 13 7P7 C7 C6 SING N N 14 7P7 C1 C2 DOUB Y N 15 7P7 C6 C5 SING N N 16 7P7 C5 N SING N N 17 7P7 N C4 SING N N 18 7P7 C40 C11 DOUB N N 19 7P7 C3 C4 SING N N 20 7P7 C3 S SING Y N 21 7P7 C4 N1 DOUB N N 22 7P7 C2 C11 SING N N 23 7P7 C2 S SING Y N 24 7P7 C11 C12 SING N N 25 7P7 C12 C39 DOUB Y N 26 7P7 C12 C13 SING Y N 27 7P7 C39 C38 SING Y N 28 7P7 C13 C14 DOUB Y N 29 7P7 C38 C16 DOUB Y N 30 7P7 C14 C16 SING Y N 31 7P7 C14 O3 SING N N 32 7P7 C16 O4 SING N N 33 7P7 C15 O3 SING N N 34 7P7 O4 C17 SING N N 35 7P7 C17 C18 SING N N 36 7P7 C18 N2 SING N N 37 7P7 C18 O10 DOUB N N 38 7P7 N2 C19 SING N N 39 7P7 C19 C20 SING N N 40 7P7 C20 C21 SING N N 41 7P7 C22 C21 SING N N 42 7P7 C22 C23 SING N N 43 7P7 C24 C23 SING N N 44 7P7 C24 O5 SING N N 45 7P7 C26 C27 DOUB Y N 46 7P7 C26 C25 SING Y N 47 7P7 C27 C28 SING Y N 48 7P7 O5 C25 SING N N 49 7P7 C25 C36 DOUB Y N 50 7P7 C28 C29 DOUB Y N 51 7P7 C36 C29 SING Y N 52 7P7 C36 C37 SING N N 53 7P7 C29 C30 SING N N 54 7P7 C37 O9 DOUB N N 55 7P7 C37 N3 SING N N 56 7P7 O7 C32 DOUB N N 57 7P7 C30 N3 SING N N 58 7P7 C30 O8 DOUB N N 59 7P7 N3 C31 SING N N 60 7P7 C32 C31 SING N N 61 7P7 C32 N4 SING N N 62 7P7 C31 C35 SING N N 63 7P7 N4 C33 SING N N 64 7P7 C35 C34 SING N N 65 7P7 C33 C34 SING N N 66 7P7 C33 O6 DOUB N N 67 7P7 C5 H1 SING N N 68 7P7 C6 H2 SING N N 69 7P7 C6 H3 SING N N 70 7P7 N1 H4 SING N N 71 7P7 C7 H5 SING N N 72 7P7 C7 H6 SING N N 73 7P7 C8 H7 SING N N 74 7P7 C8 H8 SING N N 75 7P7 N2 H9 SING N N 76 7P7 N H10 SING N N 77 7P7 C10 H11 SING N N 78 7P7 C13 H12 SING N N 79 7P7 C15 H13 SING N N 80 7P7 C15 H14 SING N N 81 7P7 C15 H15 SING N N 82 7P7 C17 H16 SING N N 83 7P7 C17 H17 SING N N 84 7P7 C19 H18 SING N N 85 7P7 C19 H19 SING N N 86 7P7 C20 H20 SING N N 87 7P7 C20 H21 SING N N 88 7P7 C21 H22 SING N N 89 7P7 C21 H23 SING N N 90 7P7 C22 H24 SING N N 91 7P7 C22 H25 SING N N 92 7P7 C23 H26 SING N N 93 7P7 C23 H27 SING N N 94 7P7 C24 H28 SING N N 95 7P7 C24 H29 SING N N 96 7P7 C26 H30 SING N N 97 7P7 C27 H31 SING N N 98 7P7 C28 H32 SING N N 99 7P7 C31 H33 SING N N 100 7P7 C34 H34 SING N N 101 7P7 C34 H35 SING N N 102 7P7 C35 H36 SING N N 103 7P7 C35 H37 SING N N 104 7P7 C38 H38 SING N N 105 7P7 C39 H39 SING N N 106 7P7 C40 H40 SING N N 107 7P7 C41 H41 SING N N 108 7P7 C41 H42 SING N N 109 7P7 C41 H43 SING N N 110 7P7 C9 H44 SING N N 111 7P7 C9 H45 SING N N 112 7P7 N4 H46 SING N N 113 # 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 7P7 SMILES ACDLabs 12.01 "c57c(C(c1ccc(c(c1)OC)OCC(NCCCCCCOc2c4c(ccc2)C(N(C3CCC(=O)NC3=O)C4=O)=O)=O)=CN(C5=O)C)sc(\C(=N)NC6CCS(=O)(=O)CC6)c7" 7P7 InChI InChI 1.03 ;InChI=1S/C42H46N6O11S2/c1-47-22-28(37-27(40(47)52)21-33(60-37)38(43)45-25-14-18-61(55,56)19-15-25)24-10-12-30(32(20-24)57-2)59-23-35(50)44-16-5-3-4-6-17-58-31-9-7-8-26-36(31)42(54)48(41(26)53)29-11-13-34(49)46-39(29)51/h7-10,12,20-22,25,29H,3-6,11,13-19,23H2,1-2H3,(H2,43,45)(H,44,50)(H,46,49,51)/t29-/m0/s1 ; 7P7 InChIKey InChI 1.03 KUQBYZITZXQWFL-LJAQVGFWSA-N 7P7 SMILES_CANONICAL CACTVS 3.385 "COc1cc(ccc1OCC(=O)NCCCCCCOc2cccc3C(=O)N([C@H]4CCC(=O)NC4=O)C(=O)c23)C5=CN(C)C(=O)c6cc(sc56)C(=N)NC7CC[S](=O)(=O)CC7" 7P7 SMILES CACTVS 3.385 "COc1cc(ccc1OCC(=O)NCCCCCCOc2cccc3C(=O)N([CH]4CCC(=O)NC4=O)C(=O)c23)C5=CN(C)C(=O)c6cc(sc56)C(=N)NC7CC[S](=O)(=O)CC7" 7P7 SMILES_CANONICAL "OpenEye OEToolkits" 2.0.6 "[H]/N=C(/c1cc2c(s1)C(=CN(C2=O)C)c3ccc(c(c3)OC)OCC(=O)NCCCCCCOc4cccc5c4C(=O)N(C5=O)[C@H]6CCC(=O)NC6=O)\NC7CCS(=O)(=O)CC7" 7P7 SMILES "OpenEye OEToolkits" 2.0.6 "CN1C=C(c2c(cc(s2)C(=N)NC3CCS(=O)(=O)CC3)C1=O)c4ccc(c(c4)OC)OCC(=O)NCCCCCCOc5cccc6c5C(=O)N(C6=O)C7CCC(=O)NC7=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 7P7 "SYSTEMATIC NAME" ACDLabs 12.01 "N-[6-({2-[(3S)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}oxy)hexyl]-2-(4-{2-[N-(1,1-dioxo-1lambda~6~-thian-4-yl)carbamimidoyl]-5-methyl-4-oxo-4,5-dihydrothieno[3,2-c]pyridin-7-yl}-2-methoxyphenoxy)acetamide" 7P7 "SYSTEMATIC NAME" "OpenEye OEToolkits" 2.0.6 "~{N}-[6-[2-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-1,3-bis(oxidanylidene)isoindol-4-yl]oxyhexyl]-2-[4-[2-[~{N}-[1,1-bis(oxidanylidene)thian-4-yl]carbamimidoyl]-5-methyl-4-oxidanylidene-thieno[3,2-c]pyridin-7-yl]-2-methoxy-phenoxy]ethanamide" # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site 7P7 "Create component" 2016-11-28 RCSB 7P7 "Other modification" 2017-08-22 RCSB 7P7 "Initial release" 2017-09-27 RCSB #