data_GG4 # _chem_comp.id GG4 _chem_comp.name "(2S,3AS,7AS)-1-[(2S)-2-{[(2S)-2-CYCLOHEXYL-2-({[(2R)-4-NITRO-2H-PYRROL-2-YL]CARBONYL}AMINO)ACETYL]AMINO}-3,3-DIMETHYLBUTANOYL]-N-{(1S)-1-[(1R)-2-(CYCLOPROPYLAMINO)-1-HYDROXY-2-OXOETHYL]BUTYL}OCTAHYDRO-1H-INDOLE-2-CARBOXAMIDE" _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "C37 H57 N7 O8" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms ? _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2007-04-30 _chem_comp.pdbx_modified_date 2011-06-04 _chem_comp.pdbx_ambiguous_flag ? _chem_comp.pdbx_release_status REL _chem_comp.pdbx_replaced_by ? _chem_comp.pdbx_replaces ? _chem_comp.formula_weight 727.891 _chem_comp.one_letter_code ? _chem_comp.three_letter_code GG4 _chem_comp.pdbx_model_coordinates_details ? _chem_comp.pdbx_model_coordinates_missing_flag N _chem_comp.pdbx_ideal_coordinates_details "Corina V3.40" _chem_comp.pdbx_ideal_coordinates_missing_flag N _chem_comp.pdbx_model_coordinates_db_code ? _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 GG4 C1 C1 C 0 1 N N S 84.404 76.135 48.926 -5.487 -1.009 1.039 C1 GG4 1 GG4 C2 C2 C 0 1 N N S 83.674 76.034 50.301 -4.607 -2.239 1.329 C2 GG4 2 GG4 C3 C3 C 0 1 N N N 76.118 75.671 49.757 1.842 1.392 2.795 C3 GG4 3 GG4 C4 C4 C 0 1 N N N 90.306 68.687 49.865 -4.325 3.876 1.272 C4 GG4 4 GG4 C5 C5 C 0 1 N N N 76.755 75.776 51.155 1.968 0.656 1.459 C5 GG4 5 GG4 C6 C6 C 0 1 N N N 79.146 75.766 49.996 3.703 -0.844 2.450 C6 GG4 6 GG4 O1 O1 O -1 1 N N N 78.513 80.522 58.613 7.476 3.263 0.381 O1 GG4 7 GG4 C7 C7 C 0 1 N N N 91.253 69.790 50.501 -3.720 3.601 2.650 C7 GG4 8 GG4 C8 C8 C 0 1 N N S 78.880 75.739 52.517 2.489 -1.536 0.380 C8 GG4 9 GG4 C9 C9 C 0 1 N N S 82.381 74.390 52.599 -1.149 -2.436 -0.398 C9 GG4 10 GG4 C10 C10 C 0 1 N N S 84.507 73.637 49.303 -3.888 -1.341 -0.751 C10 GG4 11 GG4 C11 C11 C 0 1 N N S 85.963 70.046 50.016 -2.319 1.883 -2.089 C11 GG4 12 GG4 C12 C12 C 0 1 N N N 78.445 75.715 48.631 3.577 -0.108 3.785 C12 GG4 13 GG4 C13 C13 C 0 1 N N N 80.398 75.934 52.500 1.138 -1.604 -0.286 C13 GG4 14 GG4 O2 O2 O 0 1 N N N 87.616 70.871 48.221 -3.967 2.999 -3.461 O2 GG4 15 GG4 O3 O3 O 0 1 N N N 78.594 81.000 56.302 9.266 2.152 0.271 O3 GG4 16 GG4 C14 C14 C 0 1 N N N 83.123 73.511 51.586 -2.239 -2.657 0.619 C14 GG4 17 GG4 N1 N1 N 0 1 N N N 89.183 69.210 49.052 -3.471 3.653 0.102 N1 GG4 18 GG4 C15 C15 C 0 1 N N N 85.533 72.626 49.879 -3.022 -0.115 -0.885 C15 GG4 19 GG4 C16 C16 C 0 1 N N N 77.063 75.014 48.723 3.183 1.348 3.530 C16 GG4 20 GG4 O6 O6 O 0 1 N N N 80.921 77.013 52.822 0.951 -1.031 -1.339 O6 GG4 21 GG4 C17 C17 C 0 1 N N N 78.245 76.171 51.177 2.362 -0.800 1.715 C17 GG4 22 GG4 C18 C18 C 0 1 N N N 82.700 74.276 54.177 -1.096 -3.628 -1.356 C18 GG4 23 GG4 C19 C19 C 0 1 N N N 85.192 74.853 48.662 -5.356 -0.925 -0.513 C19 GG4 24 GG4 C20 C20 C 0 1 N N N 85.151 68.849 50.537 -1.429 1.650 -3.311 C20 GG4 25 GG4 C21 C21 C 0 1 N N N 82.424 75.635 54.930 -0.866 -4.913 -0.558 C21 GG4 26 GG4 N4 N4 N 0 1 N N N 81.050 74.810 52.105 0.138 -2.302 0.288 N4 GG4 27 GG4 O7 O7 O 0 1 N N N 83.228 72.282 51.747 -2.015 -3.310 1.616 O7 GG4 28 GG4 O8 O8 O 0 1 N N N 86.626 73.013 50.361 -2.153 0.106 -0.068 O8 GG4 29 GG4 N2 N2 N 0 1 N N N 77.976 76.397 57.361 7.006 -0.999 -1.315 N2 GG4 30 GG4 C22 C22 C 0 1 N N N 84.258 73.993 54.344 -2.419 -3.731 -2.117 C22 GG4 31 GG4 C23 C23 C 0 1 N N N 81.771 73.106 54.821 0.051 -3.433 -2.349 C23 GG4 32 GG4 C24 C24 C 0 1 N N N 84.100 69.203 51.575 -0.470 0.492 -3.029 C24 GG4 33 GG4 C25 C25 C 0 1 N N N 85.016 77.535 48.684 -4.841 0.259 1.601 C25 GG4 34 GG4 C26 C26 C 0 1 N N R 86.865 69.657 48.737 -3.150 3.151 -2.299 C26 GG4 35 GG4 C27 C27 C 0 1 N N N 84.612 76.414 51.464 -4.200 -2.343 2.781 C27 GG4 36 GG4 C28 C28 C 0 1 N N N 90.453 69.404 51.279 -3.965 5.042 2.196 C28 GG4 37 GG4 N3 N3 N 0 1 N N N 78.216 76.274 53.712 3.425 -0.817 -0.488 N3 GG4 38 GG4 O10 O10 O 0 1 N N N 87.607 67.681 49.715 -5.234 3.322 -1.204 O10 GG4 39 GG4 N5 N5 N 0 1 N N N 83.670 74.381 50.391 -3.464 -2.129 0.420 N5 GG4 40 GG4 N6 N6 N 0 1 N N N 85.109 71.271 49.807 -3.214 0.737 -1.911 N6 GG4 41 GG4 C32 C32 C 0 1 N N N 87.918 68.756 49.213 -4.028 3.381 -1.095 C32 GG4 42 GG4 C33 C33 C 0 1 N N N 84.782 69.151 52.926 0.491 0.326 -4.208 C33 GG4 43 GG4 O12 O12 O 0 1 N N N 78.766 74.542 55.195 5.166 -1.844 0.426 O12 GG4 44 GG4 C41 C41 C 0 1 N N N 78.477 75.733 54.974 4.749 -1.044 -0.385 C41 GG4 45 GG4 C29 C29 C 0 1 N N N 85.712 77.472 51.144 -3.541 -1.051 3.266 C29 GG4 46 GG4 C30 C30 C 0 1 N N N 85.336 78.372 49.948 -4.540 0.098 3.089 C30 GG4 47 GG4 C31 C31 C 0 1 N N N 78.005 77.638 58.040 7.906 -0.195 -0.854 C31 GG4 48 GG4 C36 C36 C 0 1 N N R 78.380 76.672 56.020 5.713 -0.305 -1.277 C36 GG4 49 GG4 C34 C34 C 0 1 N N N 78.692 78.079 55.783 6.008 1.065 -0.707 C34 GG4 50 GG4 C35 C35 C 0 1 N N N 78.438 78.680 57.088 7.318 1.089 -0.470 C35 GG4 51 GG4 N7 N7 N 1 1 N N N 78.528 80.181 57.332 8.064 2.236 0.094 N7 GG4 52 GG4 H1 H1 H 0 1 N N N 83.715 76.133 48.068 -6.519 -1.132 1.369 H1 GG4 53 GG4 H2 H2 H 0 1 N N N 82.749 76.626 50.364 -5.170 -3.135 1.071 H2 GG4 54 GG4 H31A 1H3 H 0 0 N N N 75.872 76.685 49.409 1.561 2.429 2.612 H31A GG4 55 GG4 H32 2H3 H 0 1 N N N 75.222 75.038 49.843 1.077 0.910 3.404 H32 GG4 56 GG4 H4 H4 H 0 1 N N N 90.351 67.702 49.378 -5.382 3.652 1.133 H4 GG4 57 GG4 H51 1H5 H 0 1 N N N 76.201 76.544 51.715 1.013 0.687 0.935 H51 GG4 58 GG4 H52 2H5 H 0 1 N N N 76.699 74.768 51.593 2.733 1.138 0.850 H52 GG4 59 GG4 H61 1H6 H 0 1 N N N 79.540 74.761 50.206 4.468 -0.362 1.840 H61 GG4 60 GG4 H62 2H6 H 0 1 N N N 79.922 76.542 49.917 3.984 -1.881 2.632 H62 GG4 61 GG4 H71 1H7 H 0 1 N N N 92.346 69.728 50.606 -4.379 3.196 3.418 H71 GG4 62 GG4 H72 2H7 H 0 1 N N N 91.517 70.805 50.168 -2.687 3.254 2.687 H72 GG4 63 GG4 H8 H8 H 0 1 N N N 78.700 74.658 52.608 2.858 -2.546 0.555 H8 GG4 64 GG4 H9 H9 H 0 1 N N N 82.948 75.331 52.643 -1.357 -1.527 -0.962 H9 GG4 65 GG4 H10 H10 H 0 1 N N N 83.916 72.999 48.630 -3.816 -1.946 -1.655 H10 GG4 66 GG4 H11 H11 H 0 1 N N N 86.676 70.322 50.806 -1.697 1.999 -1.202 H11 GG4 67 GG4 H121 1H12 H 0 0 N N N 78.296 76.744 48.271 2.812 -0.590 4.395 H121 GG4 68 GG4 H122 2H12 H 0 0 N N N 79.078 75.140 47.940 4.532 -0.139 4.309 H122 GG4 69 GG4 HO2 HO2 H 0 1 N N N 87.773 71.475 48.937 -4.585 2.258 -3.414 HO2 GG4 70 GG4 HN1 HN1 H 0 1 N N N 89.364 69.916 48.367 -2.507 3.700 0.189 HN1 GG4 71 GG4 H161 1H16 H 0 0 N N N 77.226 73.967 49.020 3.947 1.830 2.920 H161 GG4 72 GG4 H162 2H16 H 0 0 N N N 76.583 75.098 47.737 3.093 1.873 4.481 H162 GG4 73 GG4 H17 H17 H 0 1 N N N 78.204 77.264 51.059 1.598 -1.282 2.324 H17 GG4 74 GG4 H191 1H19 H 0 0 N N N 85.258 74.693 47.576 -6.039 -1.623 -0.997 H191 GG4 75 GG4 H192 2H19 H 0 0 N N N 86.194 74.962 49.103 -5.531 0.093 -0.861 H192 GG4 76 GG4 H201 1H20 H 0 0 N N N 84.636 68.393 49.679 -2.050 1.406 -4.173 H201 GG4 77 GG4 H202 2H20 H 0 0 N N N 85.866 68.174 51.030 -0.856 2.553 -3.521 H202 GG4 78 GG4 H211 1H21 H 0 0 N N N 82.360 75.449 56.012 -1.683 -5.052 0.150 H211 GG4 79 GG4 H212 2H21 H 0 0 N N N 83.244 76.339 54.727 -0.828 -5.763 -1.240 H212 GG4 80 GG4 H213 3H21 H 0 0 N N N 81.475 76.064 54.575 0.077 -4.840 -0.015 H213 GG4 81 GG4 HN4 HN4 H 0 1 N N N 80.599 74.224 51.432 0.271 -2.716 1.155 HN4 GG4 82 GG4 H221 1H22 H 0 0 N N N 84.728 73.928 53.352 -2.603 -2.799 -2.652 H221 GG4 83 GG4 H222 2H22 H 0 0 N N N 84.720 74.812 54.915 -2.365 -4.555 -2.829 H222 GG4 84 GG4 H223 3H22 H 0 0 N N N 84.402 73.044 54.881 -3.230 -3.911 -1.413 H223 GG4 85 GG4 H231 1H23 H 0 0 N N N 81.561 72.342 54.058 0.994 -3.360 -1.807 H231 GG4 86 GG4 H232 2H23 H 0 0 N N N 82.299 72.643 55.668 0.089 -4.283 -3.032 H232 GG4 87 GG4 H233 3H23 H 0 0 N N N 80.824 73.542 55.173 -0.112 -2.518 -2.918 H233 GG4 88 GG4 H241 1H24 H 0 0 N N N 83.700 70.210 51.387 0.100 0.703 -2.124 H241 GG4 89 GG4 H242 2H24 H 0 0 N N N 83.255 68.500 51.534 -1.040 -0.427 -2.894 H242 GG4 90 GG4 H251 1H25 H 0 0 N N N 85.962 77.388 48.142 -3.912 0.456 1.066 H251 GG4 91 GG4 H252 2H25 H 0 0 N N N 84.250 78.104 48.137 -5.520 1.100 1.461 H252 GG4 92 GG4 H26 H26 H 0 1 N N N 86.212 69.232 47.960 -2.484 4.004 -2.431 H26 GG4 93 GG4 H271 1H27 H 0 0 N N N 83.985 76.827 52.268 -5.083 -2.542 3.387 H271 GG4 94 GG4 H272 2H27 H 0 0 N N N 85.152 75.492 51.725 -3.496 -3.167 2.896 H272 GG4 95 GG4 H281 1H28 H 0 0 N N N 89.690 70.010 51.789 -3.094 5.642 1.934 H281 GG4 96 GG4 H282 2H28 H 0 0 N N N 90.555 69.002 52.298 -4.786 5.584 2.665 H282 GG4 97 GG4 HN3 HN3 H 0 1 N N N 77.571 77.033 53.622 3.092 -0.177 -1.136 HN3 GG4 98 GG4 HN6 HN6 H 0 1 N N N 84.144 71.114 49.596 -3.945 0.591 -2.532 HN6 GG4 99 GG4 H331 1H33 H 0 0 N N N 85.873 69.138 52.786 -0.070 0.031 -5.095 H331 GG4 100 GG4 H332 2H33 H 0 0 N N N 84.498 70.036 53.514 0.999 1.272 -4.398 H332 GG4 101 GG4 H333 3H33 H 0 0 N N N 84.470 68.241 53.459 1.228 -0.441 -3.972 H333 GG4 102 GG4 H291 1H29 H 0 0 N N N 85.851 78.109 52.030 -3.275 -1.147 4.318 H291 GG4 103 GG4 H292 2H29 H 0 0 N N N 86.633 76.930 50.881 -2.646 -0.852 2.677 H292 GG4 104 GG4 H301 1H30 H 0 0 N N N 86.183 79.039 49.726 -4.109 1.020 3.477 H301 GG4 105 GG4 H302 2H30 H 0 0 N N N 84.438 78.948 50.218 -5.461 -0.133 3.625 H302 GG4 106 GG4 H31 H31 H 0 1 N N N 77.753 77.796 59.078 8.954 -0.439 -0.763 H31 GG4 107 GG4 H36 H36 H 0 1 N N N 78.386 75.629 55.671 5.302 -0.216 -2.283 H36 GG4 108 GG4 H34 H34 H 0 1 N N N 79.026 78.554 54.872 5.300 1.862 -0.529 H34 GG4 109 # 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 GG4 C1 C19 SING N N 1 GG4 C1 C25 SING N N 2 GG4 C1 C2 SING N N 3 GG4 C1 H1 SING N N 4 GG4 C2 N5 SING N N 5 GG4 C2 C27 SING N N 6 GG4 C2 H2 SING N N 7 GG4 C3 C16 SING N N 8 GG4 C3 C5 SING N N 9 GG4 C3 H31A SING N N 10 GG4 C3 H32 SING N N 11 GG4 C4 N1 SING N N 12 GG4 C4 C7 SING N N 13 GG4 C4 C28 SING N N 14 GG4 C4 H4 SING N N 15 GG4 C5 C17 SING N N 16 GG4 C5 H51 SING N N 17 GG4 C5 H52 SING N N 18 GG4 C6 C12 SING N N 19 GG4 C6 C17 SING N N 20 GG4 C6 H61 SING N N 21 GG4 C6 H62 SING N N 22 GG4 O1 N7 SING N N 23 GG4 C7 C28 SING N N 24 GG4 C7 H71 SING N N 25 GG4 C7 H72 SING N N 26 GG4 C8 C17 SING N N 27 GG4 C8 C13 SING N N 28 GG4 C8 N3 SING N N 29 GG4 C8 H8 SING N N 30 GG4 C9 C14 SING N N 31 GG4 C9 N4 SING N N 32 GG4 C9 C18 SING N N 33 GG4 C9 H9 SING N N 34 GG4 C10 C19 SING N N 35 GG4 C10 C15 SING N N 36 GG4 C10 N5 SING N N 37 GG4 C10 H10 SING N N 38 GG4 C11 C26 SING N N 39 GG4 C11 N6 SING N N 40 GG4 C11 C20 SING N N 41 GG4 C11 H11 SING N N 42 GG4 C12 C16 SING N N 43 GG4 C12 H121 SING N N 44 GG4 C12 H122 SING N N 45 GG4 C13 N4 SING N N 46 GG4 C13 O6 DOUB N N 47 GG4 O2 C26 SING N N 48 GG4 O2 HO2 SING N N 49 GG4 O3 N7 DOUB N N 50 GG4 C14 N5 SING N N 51 GG4 C14 O7 DOUB N N 52 GG4 N1 C32 SING N N 53 GG4 N1 HN1 SING N N 54 GG4 C15 N6 SING N N 55 GG4 C15 O8 DOUB N N 56 GG4 C16 H161 SING N N 57 GG4 C16 H162 SING N N 58 GG4 C17 H17 SING N N 59 GG4 C18 C22 SING N N 60 GG4 C18 C23 SING N N 61 GG4 C18 C21 SING N N 62 GG4 C19 H191 SING N N 63 GG4 C19 H192 SING N N 64 GG4 C20 C24 SING N N 65 GG4 C20 H201 SING N N 66 GG4 C20 H202 SING N N 67 GG4 C21 H211 SING N N 68 GG4 C21 H212 SING N N 69 GG4 C21 H213 SING N N 70 GG4 N4 HN4 SING N N 71 GG4 N2 C36 SING N N 72 GG4 N2 C31 DOUB N N 73 GG4 C22 H221 SING N N 74 GG4 C22 H222 SING N N 75 GG4 C22 H223 SING N N 76 GG4 C23 H231 SING N N 77 GG4 C23 H232 SING N N 78 GG4 C23 H233 SING N N 79 GG4 C24 C33 SING N N 80 GG4 C24 H241 SING N N 81 GG4 C24 H242 SING N N 82 GG4 C25 C30 SING N N 83 GG4 C25 H251 SING N N 84 GG4 C25 H252 SING N N 85 GG4 C26 C32 SING N N 86 GG4 C26 H26 SING N N 87 GG4 C27 C29 SING N N 88 GG4 C27 H271 SING N N 89 GG4 C27 H272 SING N N 90 GG4 C28 H281 SING N N 91 GG4 C28 H282 SING N N 92 GG4 N3 C41 SING N N 93 GG4 N3 HN3 SING N N 94 GG4 O10 C32 DOUB N N 95 GG4 N6 HN6 SING N N 96 GG4 C33 H331 SING N N 97 GG4 C33 H332 SING N N 98 GG4 C33 H333 SING N N 99 GG4 O12 C41 DOUB N N 100 GG4 C41 C36 SING N N 101 GG4 C29 C30 SING N N 102 GG4 C29 H291 SING N N 103 GG4 C29 H292 SING N N 104 GG4 C30 H301 SING N N 105 GG4 C30 H302 SING N N 106 GG4 C31 C35 SING N N 107 GG4 C31 H31 SING N N 108 GG4 C36 C34 SING N N 109 GG4 C36 H36 SING N N 110 GG4 C34 C35 DOUB N N 111 GG4 C34 H34 SING N N 112 GG4 C35 N7 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 GG4 SMILES ACDLabs 10.04 "O=C(NC(C(=O)NC(C(=O)N2C(C(=O)NC(C(O)C(=O)NC1CC1)CCC)CC3CCCCC23)C(C)(C)C)C4CCCCC4)C5N=CC([N+](=O)[O-])=C5" GG4 SMILES_CANONICAL CACTVS 3.341 "CCC[C@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]3C=C(C=N3)[N+]([O-])=O)C4CCCCC4)C(C)(C)C)[C@@H](O)C(=O)NC5CC5" GG4 SMILES CACTVS 3.341 "CCC[CH](NC(=O)[CH]1C[CH]2CCCC[CH]2N1C(=O)[CH](NC(=O)[CH](NC(=O)[CH]3C=C(C=N3)[N+]([O-])=O)C4CCCCC4)C(C)(C)C)[CH](O)C(=O)NC5CC5" GG4 SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 "CCC[C@@H]([C@H](C(=O)NC1CC1)O)NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C4CCCCC4)NC(=O)C5C=C(C=N5)[N+](=O)[O-]" GG4 SMILES "OpenEye OEToolkits" 1.5.0 "CCCC(C(C(=O)NC1CC1)O)NC(=O)C2CC3CCCCC3N2C(=O)C(C(C)(C)C)NC(=O)C(C4CCCCC4)NC(=O)C5C=C(C=N5)[N+](=O)[O-]" GG4 InChI InChI 1.03 ;InChI=1S/C37H57N7O8/c1-5-11-25(30(45)35(49)39-23-16-17-23)40-33(47)28-18-22-14-9-10-15-27(22)43(28)36(50)31(37(2,3)4)42-34(48)29(21-12-7-6-8-13-21)41-32(46)26-19-24(20-38-26)44(51)52/h19-23,25-31,45H,5-18H2,1-4H3,(H,39,49)(H,40,47)(H,41,46)(H,42,48)/t22-,25-,26+,27-,28-,29-,30+,31+/m0/s1 ; GG4 InChIKey InChI 1.03 HXPWPXJRIXYIRJ-MGNUMPGCSA-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 GG4 "SYSTEMATIC NAME" ACDLabs 10.04 "(2S,3aS,7aS)-1-[(2S)-2-{[(2S)-2-cyclohexyl-2-({[(2R)-4-nitro-2H-pyrrol-2-yl]carbonyl}amino)acetyl]amino}-3,3-dimethylbutanoyl]-N-{(1S)-1-[(1R)-2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]butyl}octahydro-1H-indole-2-carboxamide (non-preferred name)" GG4 "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "(2S,3aS,7aS)-1-[(2S)-2-[[(2S)-2-cyclohexyl-2-[(4-nitro-2H-pyrrol-2-yl)carbonylamino]ethanoyl]amino]-3,3-dimethyl-butanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxo-hexan-3-yl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide" # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site GG4 "Create component" 2007-04-30 RCSB GG4 "Modify descriptor" 2011-06-04 RCSB #