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 
# 
