data_GKM # _chem_comp.id GKM _chem_comp.name "1-methylcyclopentyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate" _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "C39 H52 N6 O9 S" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms "P4-3(AJ-74)" _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2018-05-24 _chem_comp.pdbx_modified_date 2021-03-01 _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 780.930 _chem_comp.one_letter_code ? _chem_comp.three_letter_code GKM _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 6DIU _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 GKM C10 C1 C 0 1 N N N -30.227 -2.784 -7.678 -30.227 -2.784 -7.678 C10 GKM 1 GKM C13 C2 C 0 1 N N S -27.086 0.992 -9.088 -27.086 0.992 -9.088 C13 GKM 2 GKM C15 C3 C 0 1 N N N -28.837 1.656 -0.843 -28.837 1.656 -0.843 C15 GKM 3 GKM C17 C4 C 0 1 N N R -27.627 -2.114 -2.911 -27.627 -2.114 -2.911 C17 GKM 4 GKM C20 C5 C 0 1 N N N -31.288 -1.729 -7.223 -31.288 -1.729 -7.223 C20 GKM 5 GKM C21 C6 C 0 1 N N N -30.461 -3.081 -9.190 -30.461 -3.081 -9.190 C21 GKM 6 GKM C22 C7 C 0 1 N N N -22.052 -2.642 -7.482 -22.052 -2.642 -7.482 C22 GKM 7 GKM C24 C8 C 0 1 N N N -20.993 -2.083 -6.535 -20.993 -2.083 -6.535 C24 GKM 8 GKM C26 C9 C 0 1 N N N -33.741 1.505 -2.838 -33.741 1.505 -2.838 C26 GKM 9 GKM C28 C10 C 0 1 N N N -32.652 2.022 -1.868 -32.652 2.022 -1.868 C28 GKM 10 GKM C01 C11 C 0 1 Y N N -27.502 -0.624 -1.014 -27.502 -0.624 -1.014 C01 GKM 11 GKM C02 C12 C 0 1 N N N -26.649 -1.827 -3.670 -26.649 -1.827 -3.670 C02 GKM 12 GKM C03 C13 C 0 1 N N N -29.364 -0.934 -9.993 -29.364 -0.934 -9.993 C03 GKM 13 GKM C04 C14 C 0 1 N N N -28.276 -0.323 -10.919 -28.276 -0.323 -10.919 C04 GKM 14 GKM C05 C15 C 0 1 N N R -26.065 0.683 -8.009 -26.065 0.683 -8.009 C05 GKM 15 GKM C06 C16 C 0 1 N N N -26.925 -0.688 -6.138 -26.925 -0.688 -6.138 C06 GKM 16 GKM C07 C17 C 0 1 N N N -24.786 0.031 -8.531 -24.786 0.031 -8.531 C07 GKM 17 GKM C08 C18 C 0 1 N N N -28.816 -2.386 -3.884 -28.816 -2.386 -3.884 C08 GKM 18 GKM C09 C19 C 0 1 N N S -31.031 -1.289 -5.790 -31.031 -1.289 -5.790 C09 GKM 19 GKM C11 C20 C 0 1 N N N -29.284 -2.485 -10.021 -29.284 -2.485 -10.021 C11 GKM 20 GKM C12 C21 C 0 1 N N N -27.277 0.520 -10.540 -27.277 0.520 -10.540 C12 GKM 21 GKM C14 C22 C 0 1 N N N -26.246 2.134 -8.480 -26.246 2.134 -8.480 C14 GKM 22 GKM C16 C23 C 0 1 Y N N -27.809 0.687 -0.269 -27.809 0.687 -0.269 C16 GKM 23 GKM C18 C24 C 0 1 N N S -27.383 -0.749 -4.665 -27.383 -0.749 -4.665 C18 GKM 24 GKM C19 C25 C 0 1 N N N -29.641 -0.620 -5.743 -29.641 -0.620 -5.743 C19 GKM 25 GKM C23 C26 C 0 1 N N N -20.587 -3.033 -7.671 -20.587 -3.033 -7.671 C23 GKM 26 GKM C25 C27 C 0 1 N N N -32.366 -0.023 -4.155 -32.366 -0.023 -4.155 C25 GKM 27 GKM C27 C28 C 0 1 N N N -34.570 2.761 -3.128 -34.570 2.761 -3.128 C27 GKM 28 GKM C29 C29 C 0 1 N N N -34.635 0.395 -2.223 -34.635 0.395 -2.223 C29 GKM 29 GKM C30 C30 C 0 1 Y N N -25.868 -1.240 0.720 -25.868 -1.240 0.720 C30 GKM 30 GKM C31 C31 C 0 1 Y N N -24.854 -2.272 1.217 -24.854 -2.272 1.217 C31 GKM 31 GKM C32 C32 C 0 1 Y N N -24.102 -1.996 2.514 -24.102 -1.996 2.514 C32 GKM 32 GKM C33 C33 C 0 1 N N N -23.089 -4.179 2.280 -23.089 -4.179 2.280 C33 GKM 33 GKM C34 C34 C 0 1 Y N N -24.364 -0.708 3.302 -24.364 -0.708 3.302 C34 GKM 34 GKM C35 C35 C 0 1 Y N N -25.380 0.317 2.796 -25.380 0.317 2.796 C35 GKM 35 GKM C36 C36 C 0 1 Y N N -26.141 0.031 1.477 -26.141 0.031 1.477 C36 GKM 36 GKM C37 C37 C 0 1 N N N -23.046 -3.703 -6.956 -23.046 -3.703 -6.956 C37 GKM 37 GKM C53 C38 C 0 1 N N N -33.539 3.904 -3.132 -33.539 3.904 -3.132 C53 GKM 38 GKM C54 C39 C 0 1 N N N -32.591 3.548 -1.984 -32.591 3.548 -1.984 C54 GKM 39 GKM N38 N1 N 0 1 N N N -28.613 -1.176 -4.825 -28.613 -1.176 -4.825 N38 GKM 40 GKM N39 N2 N 0 1 N N N -26.449 0.607 -6.615 -26.449 0.607 -6.615 N39 GKM 41 GKM N40 N3 N 0 1 N N N -24.097 -0.829 -7.909 -24.097 -0.829 -7.909 N40 GKM 42 GKM N41 N4 N 0 1 N N N -32.019 -0.315 -5.485 -32.019 -0.315 -5.485 N41 GKM 43 GKM N42 N5 N 0 1 Y N N -26.543 -1.575 -0.525 -26.543 -1.575 -0.525 N42 GKM 44 GKM N43 N6 N 0 1 Y N N -27.121 0.998 0.967 -27.121 0.998 0.967 N43 GKM 45 GKM O44 O1 O 0 1 N N N -28.171 -0.906 -2.201 -28.171 -0.906 -2.201 O44 GKM 46 GKM O45 O2 O 0 1 N N N -29.417 0.319 -6.449 -29.417 0.319 -6.449 O45 GKM 47 GKM O46 O3 O 0 1 N N N -26.966 -1.651 -6.856 -26.966 -1.651 -6.856 O46 GKM 48 GKM O47 O4 O 0 1 N N N -21.696 -0.485 -9.126 -21.696 -0.485 -9.126 O47 GKM 49 GKM O48 O5 O 0 1 N N N -23.173 -2.239 -9.795 -23.173 -2.239 -9.795 O48 GKM 50 GKM O49 O6 O 0 1 N N N -31.979 -0.638 -3.169 -31.979 -0.638 -3.169 O49 GKM 51 GKM O50 O7 O 0 1 N N N -33.197 1.038 -4.089 -33.197 1.038 -4.089 O50 GKM 52 GKM O51 O8 O 0 1 N N N -23.176 -2.936 2.971 -23.176 -2.936 2.971 O51 GKM 53 GKM O55 O9 O 0 1 N N N -24.334 0.434 -9.804 -24.334 0.434 -9.804 O55 GKM 54 GKM S52 S1 S 0 1 N N N -22.719 -1.437 -8.656 -22.719 -1.437 -8.656 S52 GKM 55 GKM H102 H1 H 0 0 N N N -30.345 -3.708 -7.093 -30.345 -3.708 -7.093 H102 GKM 56 GKM H101 H2 H 0 0 N N N -29.214 -2.383 -7.529 -29.214 -2.383 -7.529 H101 GKM 57 GKM H131 H3 H 0 0 N N N -28.078 1.022 -8.615 -28.079 1.022 -8.615 H131 GKM 58 GKM H152 H4 H 0 0 N N N -28.923 2.533 -0.184 -28.923 2.533 -0.184 H152 GKM 59 GKM H153 H5 H 0 0 N N N -28.517 1.980 -1.844 -28.517 1.980 -1.844 H153 GKM 60 GKM H151 H6 H 0 0 N N N -29.813 1.154 -0.915 -29.813 1.155 -0.915 H151 GKM 61 GKM H171 H7 H 0 0 N N N -27.477 -2.960 -2.225 -27.476 -2.960 -2.224 H171 GKM 62 GKM H201 H8 H 0 0 N N N -31.232 -0.852 -7.885 -31.232 -0.852 -7.885 H201 GKM 63 GKM H202 H9 H 0 0 N N N -32.291 -2.175 -7.289 -32.291 -2.175 -7.289 H202 GKM 64 GKM H212 H10 H 0 0 N N N -31.407 -2.622 -9.512 -31.407 -2.622 -9.512 H212 GKM 65 GKM H211 H11 H 0 0 N N N -30.508 -4.169 -9.348 -30.508 -4.169 -9.348 H211 GKM 66 GKM H242 H12 H 0 0 N N N -20.953 -2.425 -5.490 -20.953 -2.425 -5.490 H242 GKM 67 GKM H241 H13 H 0 0 N N N -20.718 -1.019 -6.583 -20.719 -1.019 -6.583 H241 GKM 68 GKM H282 H14 H 0 0 N N N -32.907 1.737 -0.837 -32.907 1.737 -0.836 H282 GKM 69 GKM H281 H15 H 0 0 N N N -31.677 1.589 -2.138 -31.677 1.589 -2.138 H281 GKM 70 GKM H022 H16 H 0 0 N N N -26.283 -2.708 -4.218 -26.283 -2.708 -4.218 H022 GKM 71 GKM H021 H17 H 0 0 N N N -25.818 -1.371 -3.113 -25.818 -1.370 -3.113 H021 GKM 72 GKM H032 H18 H 0 0 N N N -29.205 -0.581 -8.964 -29.205 -0.581 -8.964 H032 GKM 73 GKM H031 H19 H 0 0 N N N -30.358 -0.615 -10.341 -30.358 -0.615 -10.341 H031 GKM 74 GKM H041 H20 H 0 0 N N N -28.316 -0.593 -11.964 -28.316 -0.593 -11.964 H041 GKM 75 GKM H082 H21 H 0 0 N N N -29.789 -2.355 -3.371 -29.788 -2.355 -3.371 H082 GKM 76 GKM H081 H22 H 0 0 N N N -28.710 -3.345 -4.412 -28.710 -3.345 -4.412 H081 GKM 77 GKM H091 H23 H 0 0 N N N -31.067 -2.149 -5.105 -31.067 -2.149 -5.105 H091 GKM 78 GKM H111 H24 H 0 0 N N N -29.354 -2.837 -11.061 -29.354 -2.837 -11.061 H111 GKM 79 GKM H112 H25 H 0 0 N N N -28.327 -2.811 -9.587 -28.327 -2.811 -9.587 H112 GKM 80 GKM H121 H26 H 0 0 N N N -26.587 0.874 -11.292 -26.587 0.873 -11.292 H121 GKM 81 GKM H142 H27 H 0 0 N N N -25.463 2.623 -9.078 -25.463 2.623 -9.078 H142 GKM 82 GKM H141 H28 H 0 0 N N N -26.718 2.875 -7.818 -26.718 2.875 -7.818 H141 GKM 83 GKM H181 H29 H 0 0 N N N -27.319 0.251 -4.211 -27.319 0.251 -4.211 H181 GKM 84 GKM H232 H30 H 0 0 N N N -20.256 -4.057 -7.441 -20.256 -4.057 -7.441 H232 GKM 85 GKM H231 H31 H 0 0 N N N -20.022 -2.650 -8.533 -20.022 -2.650 -8.533 H231 GKM 86 GKM H271 H32 H 0 0 N N N -35.325 2.920 -2.344 -35.325 2.920 -2.344 H271 GKM 87 GKM H272 H33 H 0 0 N N N -35.068 2.682 -4.106 -35.068 2.682 -4.106 H272 GKM 88 GKM H293 H34 H 0 0 N N N -35.052 0.747 -1.268 -35.052 0.747 -1.268 H293 GKM 89 GKM H291 H35 H 0 0 N N N -35.455 0.159 -2.917 -35.455 0.159 -2.917 H291 GKM 90 GKM H292 H36 H 0 0 N N N -34.031 -0.508 -2.049 -34.031 -0.507 -2.049 H292 GKM 91 GKM H311 H37 H 0 0 N N N -24.674 -3.179 0.659 -24.674 -3.179 0.659 H311 GKM 92 GKM H333 H38 H 0 0 N N N -22.322 -4.809 2.753 -22.322 -4.809 2.753 H333 GKM 93 GKM H332 H39 H 0 0 N N N -24.062 -4.691 2.323 -24.062 -4.691 2.323 H332 GKM 94 GKM H331 H40 H 0 0 N N N -22.817 -3.996 1.230 -22.817 -3.996 1.230 H331 GKM 95 GKM H341 H41 H 0 0 N N N -23.828 -0.523 4.221 -23.827 -0.523 4.221 H341 GKM 96 GKM H351 H42 H 0 0 N N N -25.564 1.226 3.349 -25.564 1.226 3.349 H351 GKM 97 GKM H373 H43 H 0 0 N N N -22.529 -4.375 -6.255 -22.529 -4.375 -6.255 H373 GKM 98 GKM H372 H44 H 0 0 N N N -23.877 -3.202 -6.438 -23.877 -3.202 -6.438 H372 GKM 99 GKM H371 H45 H 0 0 N N N -23.440 -4.287 -7.801 -23.440 -4.287 -7.801 H371 GKM 100 GKM H531 H46 H 0 0 N N N -32.998 3.940 -4.089 -32.998 3.940 -4.089 H531 GKM 101 GKM H532 H47 H 0 0 N N N -34.028 4.873 -2.950 -34.028 4.873 -2.950 H532 GKM 102 GKM H541 H48 H 0 0 N N N -31.567 3.876 -2.214 -31.567 3.876 -2.214 H541 GKM 103 GKM H542 H49 H 0 0 N N N -32.925 4.019 -1.048 -32.925 4.019 -1.048 H542 GKM 104 GKM H391 H50 H 0 0 N N N -26.391 1.401 -6.010 -26.391 1.401 -6.010 H391 GKM 105 GKM H401 H51 H 0 0 N N N -24.365 -1.139 -6.997 -24.365 -1.139 -6.997 H401 GKM 106 GKM H411 H52 H 0 0 N N N -32.476 0.171 -6.230 -32.476 0.171 -6.230 H411 GKM 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 GKM C04 C12 DOUB N Z 1 GKM C04 C03 SING N N 2 GKM C12 C13 SING N N 3 GKM C11 C03 SING N N 4 GKM C11 C21 SING N N 5 GKM O55 C07 DOUB N N 6 GKM O48 S52 DOUB N N 7 GKM C21 C10 SING N N 8 GKM O47 S52 DOUB N N 9 GKM C13 C14 SING N N 10 GKM C13 C05 SING N N 11 GKM S52 N40 SING N N 12 GKM S52 C22 SING N N 13 GKM C07 C05 SING N N 14 GKM C07 N40 SING N N 15 GKM C14 C05 SING N N 16 GKM C05 N39 SING N N 17 GKM C10 C20 SING N N 18 GKM C23 C22 SING N N 19 GKM C23 C24 SING N N 20 GKM C22 C37 SING N N 21 GKM C22 C24 SING N N 22 GKM C20 C09 SING N N 23 GKM O46 C06 DOUB N N 24 GKM N39 C06 SING N N 25 GKM O45 C19 DOUB N N 26 GKM C06 C18 SING N N 27 GKM C09 C19 SING N N 28 GKM C09 N41 SING N N 29 GKM C19 N38 SING N N 30 GKM N41 C25 SING N N 31 GKM N38 C18 SING N N 32 GKM N38 C08 SING N N 33 GKM C18 C02 SING N N 34 GKM C25 O50 SING N N 35 GKM C25 O49 DOUB N N 36 GKM O50 C26 SING N N 37 GKM C08 C17 SING N N 38 GKM C02 C17 SING N N 39 GKM C53 C27 SING N N 40 GKM C53 C54 SING N N 41 GKM C27 C26 SING N N 42 GKM C17 O44 SING N N 43 GKM C26 C29 SING N N 44 GKM C26 C28 SING N N 45 GKM O44 C01 SING N N 46 GKM C54 C28 SING N N 47 GKM C01 N42 DOUB Y N 48 GKM C01 C16 SING Y N 49 GKM C15 C16 SING N N 50 GKM N42 C30 SING Y N 51 GKM C16 N43 DOUB Y N 52 GKM C30 C31 DOUB Y N 53 GKM C30 C36 SING Y N 54 GKM N43 C36 SING Y N 55 GKM C31 C32 SING Y N 56 GKM C36 C35 DOUB Y N 57 GKM C33 O51 SING N N 58 GKM C32 O51 SING N N 59 GKM C32 C34 DOUB Y N 60 GKM C35 C34 SING Y N 61 GKM C10 H102 SING N N 62 GKM C10 H101 SING N N 63 GKM C13 H131 SING N N 64 GKM C15 H152 SING N N 65 GKM C15 H153 SING N N 66 GKM C15 H151 SING N N 67 GKM C17 H171 SING N N 68 GKM C20 H201 SING N N 69 GKM C20 H202 SING N N 70 GKM C21 H212 SING N N 71 GKM C21 H211 SING N N 72 GKM C24 H242 SING N N 73 GKM C24 H241 SING N N 74 GKM C28 H282 SING N N 75 GKM C28 H281 SING N N 76 GKM C02 H022 SING N N 77 GKM C02 H021 SING N N 78 GKM C03 H032 SING N N 79 GKM C03 H031 SING N N 80 GKM C04 H041 SING N N 81 GKM C08 H082 SING N N 82 GKM C08 H081 SING N N 83 GKM C09 H091 SING N N 84 GKM C11 H111 SING N N 85 GKM C11 H112 SING N N 86 GKM C12 H121 SING N N 87 GKM C14 H142 SING N N 88 GKM C14 H141 SING N N 89 GKM C18 H181 SING N N 90 GKM C23 H232 SING N N 91 GKM C23 H231 SING N N 92 GKM C27 H271 SING N N 93 GKM C27 H272 SING N N 94 GKM C29 H293 SING N N 95 GKM C29 H291 SING N N 96 GKM C29 H292 SING N N 97 GKM C31 H311 SING N N 98 GKM C33 H333 SING N N 99 GKM C33 H332 SING N N 100 GKM C33 H331 SING N N 101 GKM C34 H341 SING N N 102 GKM C35 H351 SING N N 103 GKM C37 H373 SING N N 104 GKM C37 H372 SING N N 105 GKM C37 H371 SING N N 106 GKM C53 H531 SING N N 107 GKM C53 H532 SING N N 108 GKM C54 H541 SING N N 109 GKM C54 H542 SING N N 110 GKM N39 H391 SING N N 111 GKM N40 H401 SING N N 112 GKM N41 H411 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 GKM SMILES ACDLabs 12.01 "C4CC(C(N6CC(Oc2nc1cc(OC)ccc1nc2C)CC6C(NC3(C(C3)C=CCCC4)C(NS(C5(C)CC5)(=O)=O)=O)=O)=O)NC(OC7(C)CCCC7)=O" GKM InChI InChI 1.03 "InChI=1S/C39H52N6O9S/c1-24-33(41-30-20-26(52-4)14-15-28(30)40-24)53-27-21-31-32(46)43-39(35(48)44-55(50,51)38(3)18-19-38)22-25(39)12-8-6-5-7-9-13-29(34(47)45(31)23-27)42-36(49)54-37(2)16-10-11-17-37/h8,12,14-15,20,25,27,29,31H,5-7,9-11,13,16-19,21-23H2,1-4H3,(H,42,49)(H,43,46)(H,44,48)/b12-8-/t25-,27-,29+,31+,39-/m1/s1" GKM InChIKey InChI 1.03 BFDKJVNQRNACCV-VDSHMUBGSA-N GKM SMILES_CANONICAL CACTVS 3.385 "COc1ccc2nc(C)c(O[C@@H]3C[C@@H]4N(C3)C(=O)[C@H](CCCCC\C=C/[C@@H]5C[C@]5(NC4=O)C(=O)N[S](=O)(=O)C6(C)CC6)NC(=O)OC7(C)CCCC7)nc2c1" GKM SMILES CACTVS 3.385 "COc1ccc2nc(C)c(O[CH]3C[CH]4N(C3)C(=O)[CH](CCCCCC=C[CH]5C[C]5(NC4=O)C(=O)N[S](=O)(=O)C6(C)CC6)NC(=O)OC7(C)CCCC7)nc2c1" GKM SMILES_CANONICAL "OpenEye OEToolkits" 2.0.6 "Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)OC6(CCCC6)C)C(=O)NS(=O)(=O)C7(CC7)C" GKM SMILES "OpenEye OEToolkits" 2.0.6 "Cc1c(nc2cc(ccc2n1)OC)OC3CC4C(=O)NC5(CC5C=CCCCCCC(C(=O)N4C3)NC(=O)OC6(CCCC6)C)C(=O)NS(=O)(=O)C7(CC7)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 GKM "SYSTEMATIC NAME" ACDLabs 12.01 "1-methylcyclopentyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate" GKM "SYSTEMATIC NAME" "OpenEye OEToolkits" 2.0.6 "(1-methylcyclopentyl) ~{N}-[(1~{S},4~{R},6~{S},7~{Z},14~{S},18~{R})-18-(7-methoxy-3-methyl-quinoxalin-2-yl)oxy-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-bis(oxidanylidene)-3,16-diazatricyclo[14.3.0.0^{4,6}]nonadec-7-en-14-yl]carbamate" # # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site GKM "Create component" 2018-05-24 RCSB GKM "Initial release" 2019-07-31 RCSB GKM "Modify synonyms" 2021-03-01 PDBE # _pdbx_chem_comp_synonyms.ordinal 1 _pdbx_chem_comp_synonyms.comp_id GKM _pdbx_chem_comp_synonyms.name "P4-3(AJ-74)" _pdbx_chem_comp_synonyms.provenance ? _pdbx_chem_comp_synonyms.type ? ##