data_RN6 # _chem_comp.id RN6 _chem_comp.name "2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]-N-(8-{[({2-[(3S)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}oxy)acetyl]amino}octyl)acetamide" _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "C42 H45 Cl N8 O7 S" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms ? _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2017-11-22 _chem_comp.pdbx_modified_date 2018-05-25 _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 841.374 _chem_comp.one_letter_code ? _chem_comp.three_letter_code RN6 _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 6BOY _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 RN6 N N1 N 0 1 Y N N 76.722 32.855 57.578 -12.303 -3.263 -1.964 N RN6 1 RN6 C C1 C 0 1 N N N 75.401 34.671 58.648 -12.904 -3.830 0.414 C RN6 2 RN6 O O1 O 0 1 N N N 68.862 41.505 48.297 8.860 0.733 -0.863 O RN6 3 RN6 C1 C2 C 0 1 Y N N 75.728 33.706 57.568 -12.101 -3.166 -0.675 C1 RN6 4 RN6 C10 C3 C 0 1 N N N 72.920 35.237 49.023 0.325 0.257 -1.645 C10 RN6 5 RN6 C11 C4 C 0 1 N N N 73.147 36.730 48.815 1.620 -0.345 -1.094 C11 RN6 6 RN6 C12 C5 C 0 1 N N N 71.963 37.638 49.142 2.805 0.531 -1.505 C12 RN6 7 RN6 C13 C6 C 0 1 N N N 70.911 37.676 48.050 4.099 -0.070 -0.954 C13 RN6 8 RN6 C14 C7 C 0 1 N N N 70.770 40.108 47.714 6.484 0.432 -0.973 C14 RN6 9 RN6 C15 C8 C 0 1 N N N 69.867 41.256 47.326 7.651 1.294 -1.378 C15 RN6 10 RN6 C16 C9 C 0 1 Y N N 69.147 42.392 49.300 10.012 1.392 -1.140 C16 RN6 11 RN6 C17 C10 C 0 1 Y N N 69.671 42.002 50.523 9.985 2.564 -1.896 C17 RN6 12 RN6 C18 C11 C 0 1 Y N N 69.876 42.945 51.515 11.155 3.238 -2.179 C18 RN6 13 RN6 C19 C12 C 0 1 Y N N 69.562 44.274 51.295 12.374 2.760 -1.718 C19 RN6 14 RN6 C2 C13 C 0 1 Y N N 75.690 32.603 55.668 -10.631 -1.980 -1.752 C2 RN6 15 RN6 C20 C14 C 0 1 Y N N 69.042 44.653 50.061 12.420 1.599 -0.967 C20 RN6 16 RN6 C21 C15 C 0 1 N N N 68.613 45.990 49.585 13.506 0.823 -0.332 C21 RN6 17 RN6 C22 C16 C 0 1 N N S 67.593 46.861 47.437 13.730 -1.247 1.028 C22 RN6 18 RN6 C23 C17 C 0 1 N N N 68.393 48.148 47.516 14.476 -0.579 2.153 C23 RN6 19 RN6 C24 C18 C 0 1 N N N 66.364 49.478 47.151 16.242 -2.130 2.043 C24 RN6 20 RN6 C25 C19 C 0 1 N N N 65.553 48.223 47.048 15.597 -2.888 0.913 C25 RN6 21 RN6 C26 C20 C 0 1 N N N 66.140 47.072 47.851 14.734 -1.925 0.090 C26 RN6 22 RN6 C27 C21 C 0 1 Y N N 68.832 43.738 49.044 11.227 0.908 -0.668 C27 RN6 23 RN6 C28 C22 C 0 1 N N N 68.272 44.464 47.874 11.627 -0.258 0.140 C28 RN6 24 RN6 C29 C23 C 0 1 N N N 74.833 34.433 53.601 -9.832 0.377 -0.134 C29 RN6 25 RN6 C3 C24 C 0 1 N N S 75.276 32.218 54.265 -9.479 -1.056 -2.051 C3 RN6 26 RN6 C30 C25 C 0 1 Y N N 75.153 35.602 52.755 -9.977 1.757 0.386 C30 RN6 27 RN6 C31 C26 C 0 1 Y N N 74.893 36.899 53.186 -9.362 2.821 -0.272 C31 RN6 28 RN6 C32 C27 C 0 1 Y N N 75.223 37.986 52.397 -9.500 4.104 0.216 C32 RN6 29 RN6 C33 C28 C 0 1 Y N N 75.817 37.772 51.173 -10.248 4.336 1.358 C33 RN6 30 RN6 C34 C29 C 0 1 Y N N 76.089 36.500 50.722 -10.862 3.283 2.015 C34 RN6 31 RN6 C35 C30 C 0 1 Y N N 75.754 35.418 51.515 -10.735 1.997 1.532 C35 RN6 32 RN6 C36 C31 C 0 1 Y N N 73.718 34.567 54.571 -9.821 -0.715 0.859 C36 RN6 33 RN6 C37 C32 C 0 1 Y N N 73.874 34.204 55.889 -10.409 -1.949 0.676 C37 RN6 34 RN6 C38 C33 C 0 1 Y N N 71.605 35.064 55.422 -9.338 -1.681 2.921 C38 RN6 35 RN6 C39 C34 C 0 1 N N N 70.179 35.499 55.575 -8.789 -1.827 4.317 C39 RN6 36 RN6 C4 C35 C 0 1 N N N 75.905 30.925 53.732 -8.185 -1.657 -1.500 C4 RN6 37 RN6 C40 C36 C 0 1 Y N N 72.382 35.050 54.306 -9.189 -0.608 2.163 C40 RN6 38 RN6 C41 C37 C 0 1 N N N 71.861 35.441 52.955 -8.434 0.617 2.611 C41 RN6 39 RN6 C5 C38 C 0 1 N N N 75.375 30.601 52.352 -7.018 -0.795 -1.905 C5 RN6 40 RN6 C6 C39 C 0 1 N N N 75.620 30.986 49.948 -4.634 -0.293 -1.924 C6 RN6 41 RN6 C7 C40 C 0 1 N N N 75.488 32.269 49.150 -3.339 -0.894 -1.373 C7 RN6 42 RN6 C8 C41 C 0 1 N N N 74.215 33.054 49.430 -2.154 -0.018 -1.784 C8 RN6 43 RN6 C9 C42 C 0 1 N N N 74.134 34.380 48.684 -0.860 -0.619 -1.233 C9 RN6 44 RN6 N1 N2 N 0 1 Y N N 76.700 32.152 56.376 -11.430 -2.561 -2.600 N1 RN6 45 RN6 N2 N3 N 0 1 N N N 75.972 31.228 51.340 -5.768 -1.132 -1.530 N2 RN6 46 RN6 N3 N4 N 0 1 N N N 70.186 38.939 47.984 5.234 0.769 -1.348 N3 RN6 47 RN6 N4 N5 N 0 1 N N N 68.161 45.803 48.273 12.965 -0.243 0.284 N4 RN6 48 RN6 N5 N6 N 0 1 N N N 67.709 49.332 47.373 15.655 -1.053 2.584 N5 RN6 49 RN6 N6 N7 N 0 1 N N N 75.552 33.389 53.421 -9.727 0.241 -1.416 N6 RN6 50 RN6 N7 N8 N 0 1 Y N N 75.032 33.584 56.382 -11.030 -2.353 -0.508 N7 RN6 51 RN6 O1 O2 O 0 1 N N N 65.869 50.598 47.050 17.313 -2.502 2.472 O1 RN6 52 RN6 O2 O3 O 0 1 N N N 69.608 48.136 47.686 14.003 0.406 2.678 O2 RN6 53 RN6 O3 O4 O 0 1 N N N 68.617 47.053 50.180 14.688 1.101 -0.361 O3 RN6 54 RN6 O4 O5 O 0 1 N N N 67.966 44.035 46.777 10.876 -1.100 0.590 O4 RN6 55 RN6 O5 O6 O 0 1 N N N 71.986 40.279 47.737 6.669 -0.566 -0.309 O5 RN6 56 RN6 O6 O7 O 0 1 N N N 74.449 29.811 52.191 -7.203 0.203 -2.569 O6 RN6 57 RN6 S S1 S 0 1 Y N N 72.451 34.474 56.822 -10.260 -2.910 2.078 S RN6 58 RN6 CL CL1 CL 0 0 N N N 76.230 39.137 50.174 -10.417 5.953 1.968 CL RN6 59 RN6 H1 H1 H 0 1 N N N 76.126 34.564 59.468 -12.473 -4.805 0.640 H1 RN6 60 RN6 H2 H2 H 0 1 N N N 75.446 35.696 58.250 -12.885 -3.208 1.309 H2 RN6 61 RN6 H3 H3 H 0 1 N N N 74.388 34.469 59.026 -13.934 -3.956 0.080 H3 RN6 62 RN6 H4 H4 H 0 1 N N N 72.082 34.921 48.384 0.191 1.261 -1.243 H4 RN6 63 RN6 H5 H5 H 0 1 N N N 72.660 35.069 50.079 0.381 0.305 -2.732 H5 RN6 64 RN6 H6 H6 H 0 1 N N N 73.991 37.034 49.452 1.564 -0.393 -0.006 H6 RN6 65 RN6 H7 H7 H 0 1 N N N 73.410 36.887 47.758 1.754 -1.349 -1.495 H7 RN6 66 RN6 H8 H8 H 0 1 N N N 72.340 38.659 49.298 2.861 0.579 -2.593 H8 RN6 67 RN6 H9 H9 H 0 1 N N N 71.491 37.276 50.067 2.671 1.536 -1.103 H9 RN6 68 RN6 H10 H10 H 0 1 N N N 70.187 36.869 48.236 4.043 -0.118 0.133 H10 RN6 69 RN6 H11 H11 H 0 1 N N N 71.407 37.509 47.083 4.233 -1.075 -1.356 H11 RN6 70 RN6 H12 H12 H 0 1 N N N 70.479 42.163 47.210 7.517 2.299 -0.976 H12 RN6 71 RN6 H13 H13 H 0 1 N N N 69.382 41.016 46.369 7.707 1.343 -2.466 H13 RN6 72 RN6 H14 H14 H 0 1 N N N 69.918 40.966 50.701 9.044 2.946 -2.261 H14 RN6 73 RN6 H15 H15 H 0 1 N N N 70.284 42.641 52.468 11.121 4.144 -2.766 H15 RN6 74 RN6 H16 H16 H 0 1 N N N 69.718 45.008 52.071 13.285 3.294 -1.946 H16 RN6 75 RN6 H17 H17 H 0 1 N N N 67.599 46.523 46.390 13.050 -1.995 1.436 H17 RN6 76 RN6 H18 H18 H 0 1 N N N 64.538 48.429 47.420 16.369 -3.319 0.276 H18 RN6 77 RN6 H19 H19 H 0 1 N N N 65.502 47.924 45.991 14.971 -3.683 1.317 H19 RN6 78 RN6 H20 H20 H 0 1 N N N 66.094 47.311 48.924 14.199 -2.480 -0.680 H20 RN6 79 RN6 H21 H21 H 0 1 N N N 65.565 46.155 47.655 15.369 -1.169 -0.374 H21 RN6 80 RN6 H22 H22 H 0 1 N N N 74.187 32.064 54.278 -9.389 -0.923 -3.129 H22 RN6 81 RN6 H23 H23 H 0 1 N N N 74.428 37.059 54.148 -8.777 2.642 -1.163 H23 RN6 82 RN6 H24 H24 H 0 1 N N N 75.017 38.990 52.737 -9.024 4.929 -0.293 H24 RN6 83 RN6 H25 H25 H 0 1 N N N 76.558 36.349 49.761 -11.444 3.469 2.906 H25 RN6 84 RN6 H26 H26 H 0 1 N N N 75.962 34.417 51.167 -11.214 1.177 2.045 H26 RN6 85 RN6 H27 H27 H 0 1 N N N 69.866 35.369 56.621 -9.056 -2.807 4.711 H27 RN6 86 RN6 H28 H28 H 0 1 N N N 70.087 36.558 55.294 -7.704 -1.728 4.293 H28 RN6 87 RN6 H29 H29 H 0 1 N N N 69.538 34.889 54.922 -9.211 -1.051 4.956 H29 RN6 88 RN6 H30 H30 H 0 1 N N N 75.663 30.098 54.415 -8.241 -1.706 -0.412 H30 RN6 89 RN6 H31 H31 H 0 1 N N N 76.997 31.050 53.679 -8.051 -2.662 -1.902 H31 RN6 90 RN6 H32 H32 H 0 1 N N N 71.437 34.558 52.455 -9.098 1.265 3.183 H32 RN6 91 RN6 H33 H33 H 0 1 N N N 71.080 36.207 53.071 -7.593 0.316 3.237 H33 RN6 92 RN6 H34 H34 H 0 1 N N N 72.684 35.846 52.348 -8.063 1.155 1.739 H34 RN6 93 RN6 H35 H35 H 0 1 N N N 74.660 30.450 49.915 -4.767 0.712 -1.522 H35 RN6 94 RN6 H36 H36 H 0 1 N N N 76.403 30.364 49.489 -4.578 -0.245 -3.011 H36 RN6 95 RN6 H37 H37 H 0 1 N N N 75.506 32.013 48.080 -3.395 -0.942 -0.285 H37 RN6 96 RN6 H38 H38 H 0 1 N N N 76.348 32.912 49.387 -3.205 -1.898 -1.774 H38 RN6 97 RN6 H39 H39 H 0 1 N N N 74.165 33.260 50.509 -2.098 0.030 -2.872 H39 RN6 98 RN6 H40 H40 H 0 1 N N N 73.354 32.436 49.134 -2.288 0.986 -1.382 H40 RN6 99 RN6 H41 H41 H 0 1 N N N 74.109 34.164 47.606 -0.726 -1.624 -1.635 H41 RN6 100 RN6 H42 H42 H 0 1 N N N 75.038 34.960 48.921 -0.915 -0.668 -0.146 H42 RN6 101 RN6 H43 H43 H 0 1 N N N 76.691 31.892 51.544 -5.620 -1.930 -0.998 H43 RN6 102 RN6 H44 H44 H 0 1 N N N 69.200 38.929 48.150 5.086 1.567 -1.880 H44 RN6 103 RN6 H45 H45 H 0 1 N N N 68.247 50.172 47.437 16.100 -0.598 3.317 H45 RN6 104 # 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 RN6 O4 C28 DOUB N N 1 RN6 C25 C24 SING N N 2 RN6 C25 C26 SING N N 3 RN6 O1 C24 DOUB N N 4 RN6 C24 N5 SING N N 5 RN6 C15 C14 SING N N 6 RN6 C15 O SING N N 7 RN6 N5 C23 SING N N 8 RN6 C22 C23 SING N N 9 RN6 C22 C26 SING N N 10 RN6 C22 N4 SING N N 11 RN6 C23 O2 DOUB N N 12 RN6 C14 O5 DOUB N N 13 RN6 C14 N3 SING N N 14 RN6 C28 N4 SING N N 15 RN6 C28 C27 SING N N 16 RN6 N3 C13 SING N N 17 RN6 C13 C12 SING N N 18 RN6 N4 C21 SING N N 19 RN6 O C16 SING N N 20 RN6 C9 C10 SING N N 21 RN6 C9 C8 SING N N 22 RN6 C11 C10 SING N N 23 RN6 C11 C12 SING N N 24 RN6 C27 C16 DOUB Y N 25 RN6 C27 C20 SING Y N 26 RN6 C7 C8 SING N N 27 RN6 C7 C6 SING N N 28 RN6 C16 C17 SING Y N 29 RN6 C21 C20 SING N N 30 RN6 C21 O3 DOUB N N 31 RN6 C6 N2 SING N N 32 RN6 C20 C19 DOUB Y N 33 RN6 CL C33 SING N N 34 RN6 C17 C18 DOUB Y N 35 RN6 C34 C33 DOUB Y N 36 RN6 C34 C35 SING Y N 37 RN6 C33 C32 SING Y N 38 RN6 C19 C18 SING Y N 39 RN6 N2 C5 SING N N 40 RN6 C35 C30 DOUB Y N 41 RN6 O6 C5 DOUB N N 42 RN6 C5 C4 SING N N 43 RN6 C32 C31 DOUB Y N 44 RN6 C30 C31 SING Y N 45 RN6 C30 C29 SING N N 46 RN6 C41 C40 SING N N 47 RN6 N6 C29 DOUB N N 48 RN6 N6 C3 SING N N 49 RN6 C29 C36 SING N N 50 RN6 C4 C3 SING N N 51 RN6 C3 C2 SING N N 52 RN6 C40 C36 SING Y N 53 RN6 C40 C38 DOUB Y N 54 RN6 C36 C37 DOUB Y N 55 RN6 C38 C39 SING N N 56 RN6 C38 S SING Y N 57 RN6 C2 N1 DOUB Y N 58 RN6 C2 N7 SING Y N 59 RN6 C37 N7 SING N N 60 RN6 C37 S SING Y N 61 RN6 N1 N SING Y N 62 RN6 N7 C1 SING Y N 63 RN6 C1 N DOUB Y N 64 RN6 C1 C SING N N 65 RN6 C H1 SING N N 66 RN6 C H2 SING N N 67 RN6 C H3 SING N N 68 RN6 C10 H4 SING N N 69 RN6 C10 H5 SING N N 70 RN6 C11 H6 SING N N 71 RN6 C11 H7 SING N N 72 RN6 C12 H8 SING N N 73 RN6 C12 H9 SING N N 74 RN6 C13 H10 SING N N 75 RN6 C13 H11 SING N N 76 RN6 C15 H12 SING N N 77 RN6 C15 H13 SING N N 78 RN6 C17 H14 SING N N 79 RN6 C18 H15 SING N N 80 RN6 C19 H16 SING N N 81 RN6 C22 H17 SING N N 82 RN6 C25 H18 SING N N 83 RN6 C25 H19 SING N N 84 RN6 C26 H20 SING N N 85 RN6 C26 H21 SING N N 86 RN6 C3 H22 SING N N 87 RN6 C31 H23 SING N N 88 RN6 C32 H24 SING N N 89 RN6 C34 H25 SING N N 90 RN6 C35 H26 SING N N 91 RN6 C39 H27 SING N N 92 RN6 C39 H28 SING N N 93 RN6 C39 H29 SING N N 94 RN6 C4 H30 SING N N 95 RN6 C4 H31 SING N N 96 RN6 C41 H32 SING N N 97 RN6 C41 H33 SING N N 98 RN6 C41 H34 SING N N 99 RN6 C6 H35 SING N N 100 RN6 C6 H36 SING N N 101 RN6 C7 H37 SING N N 102 RN6 C7 H38 SING N N 103 RN6 C8 H39 SING N N 104 RN6 C8 H40 SING N N 105 RN6 C9 H41 SING N N 106 RN6 C9 H42 SING N N 107 RN6 N2 H43 SING N N 108 RN6 N3 H44 SING N N 109 RN6 N5 H45 SING N N 110 # 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 RN6 SMILES ACDLabs 12.01 "n1c(C)n5c(n1)C(CC(NCCCCCCCCNC(=O)COc3cccc4C(=O)N(C2C(=O)NC(CC2)=O)C(c34)=O)=O)N=C(c6c5sc(C)c6C)c7ccc(cc7)Cl" RN6 InChI InChI 1.03 ;InChI=1S/C42H45ClN8O7S/c1-23-24(2)59-42-35(23)37(26-13-15-27(43)16-14-26)46-29(38-49-48-25(3)50(38)42)21-33(53)44-19-8-6-4-5-7-9-20-45-34(54)22-58-31-12-10-11-28-36(31)41(57)51(40(28)56)30-17-18-32(52)47-39(30)55/h10-16,29-30H,4-9,17-22H2,1-3H3,(H,44,53)(H,45,54)(H,47,52,55)/t29-,30-/m0/s1 ; RN6 InChIKey InChI 1.03 JGQPZPLJOBHHBK-KYJUHHDHSA-N RN6 SMILES_CANONICAL CACTVS 3.385 "Cc1sc2n3c(C)nnc3[C@H](CC(=O)NCCCCCCCCNC(=O)COc4cccc5C(=O)N([C@H]6CCC(=O)NC6=O)C(=O)c45)N=C(c7ccc(Cl)cc7)c2c1C" RN6 SMILES CACTVS 3.385 "Cc1sc2n3c(C)nnc3[CH](CC(=O)NCCCCCCCCNC(=O)COc4cccc5C(=O)N([CH]6CCC(=O)NC6=O)C(=O)c45)N=C(c7ccc(Cl)cc7)c2c1C" RN6 SMILES_CANONICAL "OpenEye OEToolkits" 2.0.6 "Cc1c(sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)NCCCCCCCCNC(=O)COc4cccc5c4C(=O)N(C5=O)[C@H]6CCC(=O)NC6=O)c7ccc(cc7)Cl)C" RN6 SMILES "OpenEye OEToolkits" 2.0.6 "Cc1c(sc-2c1C(=NC(c3n2c(nn3)C)CC(=O)NCCCCCCCCNC(=O)COc4cccc5c4C(=O)N(C5=O)C6CCC(=O)NC6=O)c7ccc(cc7)Cl)C" # 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 RN6 "SYSTEMATIC NAME" ACDLabs 12.01 "2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]-N-(8-{[({2-[(3S)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}oxy)acetyl]amino}octyl)acetamide" RN6 "SYSTEMATIC NAME" "OpenEye OEToolkits" 2.0.6 ;~{N}-[8-[2-[2-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-1,3-bis(oxidanylidene)isoindol-4-yl]oxyethanoylamino]octyl]-2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]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 RN6 "Create component" 2017-11-22 RCSB RN6 "Initial release" 2018-05-30 RCSB #