data_GVW
# 
_chem_comp.id                                    GVW 
_chem_comp.name                                  "(2~{S})-~{N}-[(2~{S},3~{R})-1-[(4~{a}~{S},8~{a}~{S})-1,2,3,4,4~{a},5,6,7,8,8~{a}-decahydronaphthalen-2-yl]-4-methyl-3,4-bis(oxidanyl)pentan-2-yl]-3-(4-methoxyphenyl)-2-[[(2~{S})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide" 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C35 H56 N4 O7" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2018-10-11 
_chem_comp.pdbx_modified_date                    2024-09-27 
_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                        644.842 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     GVW 
_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        6HVW 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  EBI 
_chem_comp.pdbx_pcm                              Y 
# 
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 
GVW C4  C1  C 0 1 N N S N N N 64.945 -130.934 40.559 -4.802 3.018  -0.319 C4  GVW 1   
GVW C5  C2  C 0 1 N N N N N N 64.910 -132.350 41.107 -5.252 1.660  0.224  C5  GVW 2   
GVW C6  C3  C 0 1 N N S N N N 64.011 -132.571 42.262 -5.143 0.608  -0.882 C6  GVW 3   
GVW C7  C4  C 0 1 N N N N N N 63.639 -133.903 42.818 -5.593 -0.750 -0.339 C7  GVW 4   
GVW C8  C5  C 0 1 N N S N N N 63.564 -135.160 41.939 -4.603 -1.227 0.725  C8  GVW 5   
GVW C10 C6  C 0 1 N N N N N N 63.506 -137.855 42.335 -4.133 -2.996 2.426  C10 GVW 6   
GVW C24 C7  C 0 1 N N S N N N 61.026 -135.367 39.056 -0.854 -1.027 -0.014 C24 GVW 7   
GVW C26 C8  C 0 1 N N N N N N 60.799 -134.257 36.856 1.296  0.099  0.204  C26 GVW 8   
GVW C53 C9  C 0 1 N N N N N N 66.229 -130.820 39.814 -4.911 4.070  0.786  C53 GVW 9   
GVW C52 C10 C 0 1 N N N N N N 66.252 -129.446 39.129 -4.461 5.428  0.244  C52 GVW 10  
GVW C51 C11 C 0 1 N N N N N N 66.199 -128.341 40.207 -5.355 5.829  -0.932 C51 GVW 11  
GVW C50 C12 C 0 1 N N N N N N 64.916 -128.487 41.038 -5.246 4.777  -2.037 C50 GVW 12  
GVW C3  C13 C 0 1 N N S N N N 64.850 -129.868 41.678 -5.696 3.419  -1.494 C3  GVW 13  
GVW C2  C14 C 0 1 N N N N N N 63.534 -130.026 42.345 -5.587 2.367  -2.600 C2  GVW 14  
GVW C1  C15 C 0 1 N N N N N N 63.540 -131.394 43.069 -6.037 1.009  -2.057 C1  GVW 15  
GVW C9  C16 C 0 1 N N R N N N 63.475 -136.367 42.943 -5.100 -2.542 1.331  C9  GVW 16  
GVW O21 O1  O 0 1 N N N N N N 62.225 -136.217 43.623 -5.167 -3.541 0.311  O21 GVW 17  
GVW C11 C17 C 0 1 N N N N N N 64.504 -138.861 43.073 -4.134 -1.972 3.563  C11 GVW 18  
GVW C12 C18 C 0 1 N N N N N N 63.928 -137.943 40.839 -4.576 -4.357 2.965  C12 GVW 19  
GVW O13 O2  O 0 1 N N N N N N 62.148 -138.362 42.403 -2.815 -3.104 1.884  O13 GVW 20  
GVW N22 N1  N 0 1 N N N N N N 62.357 -135.157 41.087 -3.290 -1.438 0.111  N22 GVW 21  
GVW C23 C19 C 0 1 N N N N N N 62.395 -135.298 39.743 -2.189 -0.900 0.673  C23 GVW 22  
GVW O49 O3  O 0 1 N N N N N N 63.428 -135.414 39.078 -2.273 -0.313 1.731  O49 GVW 23  
GVW C40 C20 C 0 1 N N N N N N 60.388 -136.717 39.416 -0.501 -2.507 -0.173 C40 GVW 24  
GVW C41 C21 C 0 1 Y N N N N N 59.034 -136.780 39.079 0.773  -2.638 -0.968 C41 GVW 25  
GVW C42 C22 C 0 1 Y N N N N N 58.060 -136.711 40.079 1.993  -2.655 -0.317 C42 GVW 26  
GVW C43 C23 C 0 1 Y N N N N N 56.707 -136.791 39.755 3.162  -2.774 -1.043 C43 GVW 27  
GVW C44 C24 C 0 1 Y N N N N N 56.302 -136.956 38.419 3.112  -2.876 -2.426 C44 GVW 28  
GVW O45 O4  O 0 1 N N N N N N 54.992 -137.049 37.996 4.260  -2.994 -3.142 O45 GVW 29  
GVW C46 C25 C 0 1 N N N N N N 53.850 -137.048 38.881 4.132  -3.095 -4.562 C46 GVW 30  
GVW C47 C26 C 0 1 Y N N N N N 57.290 -137.031 37.429 1.886  -2.859 -3.076 C47 GVW 31  
GVW C48 C27 C 0 1 Y N N N N N 58.642 -136.949 37.750 0.719  -2.746 -2.345 C48 GVW 32  
GVW N25 N2  N 0 1 N N N N N N 61.270 -135.267 37.607 0.175  -0.364 0.792  N25 GVW 33  
GVW O39 O5  O 0 1 N N N N N N 60.081 -133.347 37.270 1.454  -0.033 -0.991 O39 GVW 34  
GVW C27 C28 C 0 1 N N S N N N 61.205 -134.302 35.382 2.354  0.781  1.033  C27 GVW 35  
GVW C38 C29 C 0 1 N N N N N N 62.391 -133.361 35.130 1.755  2.015  1.710  C38 GVW 36  
GVW N28 N3  N 0 1 N N N N N N 60.046 -133.898 34.568 3.464  1.189  0.168  N28 GVW 37  
GVW C29 C30 C 0 1 N N N N N N 59.235 -134.814 34.019 4.699  1.346  0.685  C29 GVW 38  
GVW O37 O6  O 0 1 N N N N N N 59.386 -136.035 34.125 4.891  1.149  1.866  O37 GVW 39  
GVW C30 C31 C 0 1 N N N N N N 58.048 -134.252 33.225 5.840  1.766  -0.205 C30 GVW 40  
GVW N31 N4  N 0 1 N N N N N N 56.931 -133.850 34.109 7.071  1.865  0.592  N31 GVW 41  
GVW C32 C32 C 0 1 N N N N N N 55.850 -133.371 33.257 7.488  0.544  1.084  C32 GVW 42  
GVW C33 C33 C 0 1 N N N N N N 54.662 -132.901 34.155 8.736  0.701  1.956  C33 GVW 43  
GVW O34 O7  O 0 1 N N N N N N 54.176 -133.950 35.028 9.763  1.345  1.197  O34 GVW 44  
GVW C35 C34 C 0 1 N N N N N N 55.266 -134.516 35.801 9.391  2.634  0.703  C35 GVW 45  
GVW C36 C35 C 0 1 N N N N N N 56.330 -134.951 34.848 8.149  2.497  -0.182 C36 GVW 46  
GVW H1  H1  H 0 1 N N N N N N 64.103 -130.795 39.865 -3.768 2.950  -0.656 H1  GVW 47  
GVW H2  H2  H 0 1 N N N N N N 64.587 -133.018 40.295 -4.615 1.375  1.061  H2  GVW 48  
GVW H3  H3  H 0 1 N N N N N N 65.931 -132.617 41.418 -6.286 1.728  0.560  H3  GVW 49  
GVW H4  H4  H 0 1 N N N N N N 63.116 -132.542 41.623 -4.109 0.540  -1.219 H4  GVW 50  
GVW H5  H5  H 0 1 N N N N N N 62.642 -133.782 43.267 -6.584 -0.654 0.104  H5  GVW 51  
GVW H6  H6  H 0 1 N N N N N N 64.373 -134.123 43.608 -5.628 -1.474 -1.154 H6  GVW 52  
GVW H7  H7  H 0 1 N N N N N N 64.476 -135.252 41.330 -4.521 -0.474 1.509  H7  GVW 53  
GVW H8  H8  H 0 1 N N N N N N 60.386 -134.543 39.405 -0.904 -0.558 -0.996 H8  GVW 54  
GVW H9  H9  H 0 1 N N N N N N 66.295 -131.616 39.058 -5.945 4.138  1.123  H9  GVW 55  
GVW H10 H10 H 0 1 N N N N N N 67.075 -130.905 40.511 -4.274 3.785  1.624  H10 GVW 56  
GVW H11 H11 H 0 1 N N N N N N 67.176 -129.343 38.542 -4.538 6.178  1.031  H11 GVW 57  
GVW H12 H12 H 0 1 N N N N N N 65.382 -129.352 38.463 -3.427 5.360  -0.093 H12 GVW 58  
GVW H13 H13 H 0 1 N N N N N N 67.074 -128.432 40.867 -6.389 5.897  -0.595 H13 GVW 59  
GVW H14 H14 H 0 1 N N N N N N 66.208 -127.355 39.720 -5.034 6.797  -1.318 H14 GVW 60  
GVW H15 H15 H 0 1 N N N N N N 64.907 -127.721 41.828 -5.883 5.063  -2.874 H15 GVW 61  
GVW H16 H16 H 0 1 N N N N N N 64.043 -128.349 40.383 -4.211 4.709  -2.374 H16 GVW 62  
GVW H17 H17 H 0 1 N N N N N N 65.674 -129.999 42.395 -6.730 3.487  -1.158 H17 GVW 63  
GVW H18 H18 H 0 1 N N N N N N 63.383 -129.216 43.074 -6.224 2.652  -3.437 H18 GVW 64  
GVW H19 H19 H 0 1 N N N N N N 62.728 -130.001 41.597 -4.552 2.299  -2.937 H19 GVW 65  
GVW H20 H20 H 0 1 N N N N N N 62.512 -131.603 43.399 -5.959 0.259  -2.845 H20 GVW 66  
GVW H21 H21 H 0 1 N N N N N N 64.196 -131.306 43.948 -7.071 1.077  -1.721 H21 GVW 67  
GVW H22 H22 H 0 1 N N N N N N 64.306 -136.280 43.658 -6.091 -2.393 1.759  H22 GVW 68  
GVW H23 H23 H 0 1 N N N N N N 62.117 -136.925 44.247 -4.318 -3.725 -0.115 H23 GVW 69  
GVW H24 H24 H 0 1 N N N N N N 64.285 -138.871 44.151 -3.914 -0.983 3.162  H24 GVW 70  
GVW H25 H25 H 0 1 N N N N N N 64.374 -139.873 42.663 -5.114 -1.961 4.042  H25 GVW 71  
GVW H26 H26 H 0 1 N N N N N N 65.541 -138.531 42.913 -3.375 -2.243 4.297  H26 GVW 72  
GVW H27 H27 H 0 1 N N N N N N 64.956 -137.569 40.725 -3.888 -4.681 3.746  H27 GVW 73  
GVW H28 H28 H 0 1 N N N N N N 63.879 -138.990 40.505 -5.581 -4.275 3.379  H28 GVW 74  
GVW H29 H29 H 0 1 N N N N N N 63.246 -137.332 40.229 -4.576 -5.087 2.155  H29 GVW 75  
GVW H30 H30 H 0 1 N N N N N N 61.842 -138.329 43.302 -2.740 -3.737 1.157  H30 GVW 76  
GVW H31 H31 H 0 1 N N N N N N 61.466 -135.045 41.527 -3.212 -1.965 -0.700 H31 GVW 77  
GVW H32 H32 H 0 1 N N N N N N 60.922 -137.514 38.877 -0.363 -2.956 0.811  H32 GVW 78  
GVW H33 H33 H 0 1 N N N N N N 60.489 -136.876 40.500 -1.309 -3.019 -0.696 H33 GVW 79  
GVW H34 H34 H 0 1 N N N N N N 58.358 -136.595 41.111 2.032  -2.575 0.759  H34 GVW 80  
GVW H35 H35 H 0 1 N N N N N N 55.964 -136.726 40.536 4.115  -2.787 -0.535 H35 GVW 81  
GVW H36 H36 H 0 1 N N N N N N 52.927 -137.133 38.289 5.122  -3.184 -5.010 H36 GVW 82  
GVW H37 H37 H 0 1 N N N N N N 53.922 -137.900 39.573 3.540  -3.976 -4.811 H37 GVW 83  
GVW H38 H38 H 0 1 N N N N N N 53.832 -136.110 39.455 3.637  -2.204 -4.946 H38 GVW 84  
GVW H39 H39 H 0 1 N N N N N N 56.997 -137.155 36.397 1.844  -2.943 -4.152 H39 GVW 85  
GVW H40 H40 H 0 1 N N N N N N 59.387 -137.016 36.971 -0.235 -2.733 -2.851 H40 GVW 86  
GVW H41 H41 H 0 1 N N N N N N 61.810 -135.982 37.163 0.049  -0.259 1.748  H41 GVW 87  
GVW H42 H42 H 0 1 N N N N N N 61.502 -135.329 35.123 2.721  0.091  1.793  H42 GVW 88  
GVW H43 H43 H 0 1 N N N N N N 63.247 -133.676 35.745 1.388  2.705  0.950  H43 GVW 89  
GVW H44 H44 H 0 1 N N N N N N 62.670 -133.399 34.067 0.929  1.711  2.354  H44 GVW 90  
GVW H45 H45 H 0 1 N N N N N N 62.106 -132.333 35.398 2.520  2.508  2.310  H45 GVW 91  
GVW H46 H46 H 0 1 N N N N N N 59.861 -132.926 34.423 3.310  1.347  -0.776 H46 GVW 92  
GVW H47 H47 H 0 1 N N N N N N 58.385 -133.373 32.656 5.977  1.026  -0.994 H47 GVW 93  
GVW H48 H48 H 0 1 N N N N N N 57.689 -135.024 32.528 5.616  2.735  -0.650 H48 GVW 94  
GVW H50 H50 H 0 1 N N N N N N 56.207 -132.528 32.648 6.683  0.106  1.676  H50 GVW 95  
GVW H51 H51 H 0 1 N N N N N N 55.514 -134.184 32.597 7.714  -0.105 0.238  H51 GVW 96  
GVW H52 H52 H 0 1 N N N N N N 55.000 -132.056 34.773 8.496  1.306  2.830  H52 GVW 97  
GVW H53 H53 H 0 1 N N N N N N 53.837 -132.573 33.505 9.082  -0.281 2.277  H53 GVW 98  
GVW H54 H54 H 0 1 N N N N N N 54.905 -135.380 36.378 9.170  3.296  1.540  H54 GVW 99  
GVW H55 H55 H 0 1 N N N N N N 55.668 -133.758 36.489 10.212 3.050  0.117  H55 GVW 100 
GVW H56 H56 H 0 1 N N N N N N 55.886 -135.653 34.127 8.386  1.879  -1.048 H56 GVW 101 
GVW H57 H57 H 0 1 N N N N N N 57.121 -135.461 35.418 7.829  3.484  -0.515 H57 GVW 102 
# 
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 
GVW C30 C29 SING N N 1   
GVW C30 N31 SING N N 2   
GVW C32 N31 SING N N 3   
GVW C32 C33 SING N N 4   
GVW C29 O37 DOUB N N 5   
GVW C29 N28 SING N N 6   
GVW N31 C36 SING N N 7   
GVW C33 O34 SING N N 8   
GVW N28 C27 SING N N 9   
GVW C36 C35 SING N N 10  
GVW O34 C35 SING N N 11  
GVW C38 C27 SING N N 12  
GVW C27 C26 SING N N 13  
GVW C26 O39 DOUB N N 14  
GVW C26 N25 SING N N 15  
GVW C47 C48 DOUB Y N 16  
GVW C47 C44 SING Y N 17  
GVW N25 C24 SING N N 18  
GVW C48 C41 SING Y N 19  
GVW O45 C44 SING N N 20  
GVW O45 C46 SING N N 21  
GVW C44 C43 DOUB Y N 22  
GVW C24 C40 SING N N 23  
GVW C24 C23 SING N N 24  
GVW O49 C23 DOUB N N 25  
GVW C41 C40 SING N N 26  
GVW C41 C42 DOUB Y N 27  
GVW C52 C53 SING N N 28  
GVW C52 C51 SING N N 29  
GVW C23 N22 SING N N 30  
GVW C43 C42 SING Y N 31  
GVW C53 C4  SING N N 32  
GVW C51 C50 SING N N 33  
GVW C4  C5  SING N N 34  
GVW C4  C3  SING N N 35  
GVW C12 C10 SING N N 36  
GVW C50 C3  SING N N 37  
GVW N22 C8  SING N N 38  
GVW C5  C6  SING N N 39  
GVW C3  C2  SING N N 40  
GVW C8  C7  SING N N 41  
GVW C8  C9  SING N N 42  
GVW C6  C7  SING N N 43  
GVW C6  C1  SING N N 44  
GVW C10 O13 SING N N 45  
GVW C10 C9  SING N N 46  
GVW C10 C11 SING N N 47  
GVW C2  C1  SING N N 48  
GVW C9  O21 SING N N 49  
GVW C4  H1  SING N N 50  
GVW C5  H2  SING N N 51  
GVW C5  H3  SING N N 52  
GVW C6  H4  SING N N 53  
GVW C7  H5  SING N N 54  
GVW C7  H6  SING N N 55  
GVW C8  H7  SING N N 56  
GVW C24 H8  SING N N 57  
GVW C53 H9  SING N N 58  
GVW C53 H10 SING N N 59  
GVW C52 H11 SING N N 60  
GVW C52 H12 SING N N 61  
GVW C51 H13 SING N N 62  
GVW C51 H14 SING N N 63  
GVW C50 H15 SING N N 64  
GVW C50 H16 SING N N 65  
GVW C3  H17 SING N N 66  
GVW C2  H18 SING N N 67  
GVW C2  H19 SING N N 68  
GVW C1  H20 SING N N 69  
GVW C1  H21 SING N N 70  
GVW C9  H22 SING N N 71  
GVW O21 H23 SING N N 72  
GVW C11 H24 SING N N 73  
GVW C11 H25 SING N N 74  
GVW C11 H26 SING N N 75  
GVW C12 H27 SING N N 76  
GVW C12 H28 SING N N 77  
GVW C12 H29 SING N N 78  
GVW O13 H30 SING N N 79  
GVW N22 H31 SING N N 80  
GVW C40 H32 SING N N 81  
GVW C40 H33 SING N N 82  
GVW C42 H34 SING N N 83  
GVW C43 H35 SING N N 84  
GVW C46 H36 SING N N 85  
GVW C46 H37 SING N N 86  
GVW C46 H38 SING N N 87  
GVW C47 H39 SING N N 88  
GVW C48 H40 SING N N 89  
GVW N25 H41 SING N N 90  
GVW C27 H42 SING N N 91  
GVW C38 H43 SING N N 92  
GVW C38 H44 SING N N 93  
GVW C38 H45 SING N N 94  
GVW N28 H46 SING N N 95  
GVW C30 H47 SING N N 96  
GVW C30 H48 SING N N 97  
GVW C32 H50 SING N N 98  
GVW C32 H51 SING N N 99  
GVW C33 H52 SING N N 100 
GVW C33 H53 SING N N 101 
GVW C35 H54 SING N N 102 
GVW C35 H55 SING N N 103 
GVW C36 H56 SING N N 104 
GVW C36 H57 SING N N 105 
# 
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 
GVW InChI            InChI                1.03  "InChI=1S/C35H56N4O7/c1-23(36-31(40)22-39-15-17-46-18-16-39)33(42)38-30(20-24-10-13-28(45-4)14-11-24)34(43)37-29(32(41)35(2,3)44)21-25-9-12-26-7-5-6-8-27(26)19-25/h10-11,13-14,23,25-27,29-30,32,41,44H,5-9,12,15-22H2,1-4H3,(H,36,40)(H,37,43)(H,38,42)/t23-,25-,26-,27-,29-,30-,32+/m0/s1" 
GVW InChIKey         InChI                1.03  QCNGAIZJUVCKLV-HUNVPQJGSA-N                                                                                                                                                                                                                                                                   
GVW SMILES_CANONICAL CACTVS               3.385 "COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)CN2CCOCC2)C(=O)N[C@@H](C[C@H]3CC[C@@H]4CCCC[C@H]4C3)[C@@H](O)C(C)(C)O)cc1"                                                                                                                                                                                
GVW SMILES           CACTVS               3.385 "COc1ccc(C[CH](NC(=O)[CH](C)NC(=O)CN2CCOCC2)C(=O)N[CH](C[CH]3CC[CH]4CCCC[CH]4C3)[CH](O)C(C)(C)O)cc1"                                                                                                                                                                                          
GVW SMILES_CANONICAL "OpenEye OEToolkits" 2.0.6 "C[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)OC)C(=O)N[C@@H](CC2CC[C@@H]3CCCC[C@H]3C2)[C@H](C(C)(C)O)O)NC(=O)CN4CCOCC4"                                                                                                                                                                                   
GVW SMILES           "OpenEye OEToolkits" 2.0.6 "CC(C(=O)NC(Cc1ccc(cc1)OC)C(=O)NC(CC2CCC3CCCCC3C2)C(C(C)(C)O)O)NC(=O)CN4CCOCC4"                                                                                                                                                                                                               
# 
_pdbx_chem_comp_identifier.comp_id           GVW 
_pdbx_chem_comp_identifier.type              "SYSTEMATIC NAME" 
_pdbx_chem_comp_identifier.program           "OpenEye OEToolkits" 
_pdbx_chem_comp_identifier.program_version   2.0.6 
_pdbx_chem_comp_identifier.identifier        "(2~{S})-~{N}-[(2~{S},3~{R})-1-[(4~{a}~{S},8~{a}~{S})-1,2,3,4,4~{a},5,6,7,8,8~{a}-decahydronaphthalen-2-yl]-4-methyl-3,4-bis(oxidanyl)pentan-2-yl]-3-(4-methoxyphenyl)-2-[[(2~{S})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide" 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
GVW "Create component" 2018-10-11 EBI  
GVW "Initial release"  2019-01-30 RCSB 
GVW "Modify PCM"       2024-09-27 PDBE 
# 
loop_
_pdbx_chem_comp_pcm.pcm_id 
_pdbx_chem_comp_pcm.comp_id 
_pdbx_chem_comp_pcm.modified_residue_id 
_pdbx_chem_comp_pcm.type 
_pdbx_chem_comp_pcm.category 
_pdbx_chem_comp_pcm.position 
_pdbx_chem_comp_pcm.polypeptide_position 
_pdbx_chem_comp_pcm.comp_id_linking_atom 
_pdbx_chem_comp_pcm.modified_residue_id_linking_atom 
_pdbx_chem_comp_pcm.uniprot_specific_ptm_accession 
_pdbx_chem_comp_pcm.uniprot_generic_ptm_accession 
1 GVW THR None "Covalent chemical modification" "Amino-acid backbone"   N-terminal     C11 N   ? ? 
2 GVW THR None "Covalent chemical modification" "Amino-acid side chain" "Any position" C9  OG1 ? ? 
# 
