data_4P2 # _chem_comp.id 4P2 _chem_comp.name ;(3aR,7S,10S,12R,24aR)-7-cyclopentyl-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-5,8-dioxo-1,2,3,3a,5,6,7,8,11,12,20,21,22,23,24,24a-hexadecahydro-10H-9,12-methanocyclopenta[18,19][1,10,3,6]dioxadiazacyclononadecino[12,11-b]quinoline-10-carboxamide ; _chem_comp.type peptide-like _chem_comp.pdbx_type HETAIN _chem_comp.formula "C41 H53 N5 O8 S" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms ? _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2013-11-22 _chem_comp.pdbx_modified_date 2019-01-25 _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 775.953 _chem_comp.one_letter_code ? _chem_comp.three_letter_code 4P2 _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 2M8Q _chem_comp.pdbx_subcomponent_list "2KX 2KY HYP 0Y9 0YA" _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 4P2 O1 O1 O 0 1 N N N 121.944 -12.304 4.927 1.215 2.290 -1.012 O1 2KX 1 4P2 C8 C8 C 0 1 N N N 127.062 -10.580 5.763 3.670 -2.551 -0.689 C8 2KX 2 4P2 O9 O9 O 0 1 N N N 128.247 -10.007 5.359 4.955 -2.952 -0.660 O9 2KX 3 4P2 C10 C10 C 0 1 N N R 128.833 -10.413 4.079 5.950 -1.994 -0.221 C10 2KX 4 4P2 C11 C11 C 0 1 N N N 130.338 -10.180 4.192 7.352 -2.511 -0.562 C11 2KX 5 4P2 C12 C12 C 0 1 N N N 130.771 -9.890 2.774 8.059 -2.839 0.756 C12 2KX 6 4P2 C13 C13 C 0 1 N N N 129.671 -8.976 2.258 7.114 -2.487 1.907 C13 2KX 7 4P2 C14 C14 C 0 1 N N R 128.359 -9.499 2.913 5.877 -1.814 1.299 C14 2KX 8 4P2 C15 C15 C 0 1 N N N 127.493 -10.223 1.850 5.892 -0.324 1.642 C15 2KX 9 4P2 C16 C16 C 0 1 N N N 126.155 -10.746 2.385 4.744 0.391 0.929 C16 2KX 10 4P2 C17 C17 C 0 1 N N N 125.084 -10.788 1.290 5.189 1.800 0.534 C17 2KX 11 4P2 C18 C18 C 0 1 N N N 123.877 -11.648 1.674 4.017 2.553 -0.105 C18 2KX 12 4P2 C19 C19 C 0 1 N N N 122.832 -10.910 2.529 3.037 2.995 0.982 C19 2KX 13 4P2 C20 C20 C 0 1 Y N N 121.554 -11.724 2.603 2.065 3.994 0.410 C20 2KX 14 4P2 N21 N21 N 0 1 Y N N 120.829 -11.785 1.387 2.086 5.232 0.836 N21 2KX 15 4P2 C22 C22 C 0 1 Y N N 119.720 -12.611 1.261 1.244 6.149 0.351 C22 2KX 16 4P2 C23 C23 C 0 1 Y N N 118.990 -12.674 0.010 1.291 7.482 0.797 C23 2KX 17 4P2 C24 C24 C 0 1 Y N N 117.810 -13.524 -0.139 0.416 8.394 0.292 C24 2KX 18 4P2 C25 C25 C 0 1 Y N N 117.357 -14.349 0.974 -0.530 8.030 -0.664 C25 2KX 19 4P2 C26 C26 C 0 1 Y N N 118.072 -14.317 2.250 -0.603 6.751 -1.125 C26 2KX 20 4P2 C27 C27 C 0 1 Y N N 119.249 -13.453 2.412 0.289 5.785 -0.631 C27 2KX 21 4P2 C28 C28 C 0 1 Y N N 120.006 -13.361 3.657 0.260 4.457 -1.096 C28 2KX 22 4P2 C29 C29 C 0 1 Y N N 121.171 -12.482 3.787 1.164 3.572 -0.574 C29 2KX 23 4P2 O38 O38 O 0 1 N N N 126.438 -11.473 5.193 3.366 -1.429 -0.336 O38 2KX 24 4P2 C5 C5 C 0 1 N N N 124.203 -9.566 6.793 1.174 -1.788 -2.039 C5 2KY 25 4P2 C6 C6 C 0 1 N N S 125.333 -10.346 7.563 1.317 -2.976 -1.123 C6 2KY 26 4P2 N7 N7 N 0 1 N N N 126.641 -10.008 6.945 2.720 -3.418 -1.118 N7 2KY 27 4P2 O32 O32 O 0 1 N N N 124.450 -8.502 6.228 1.706 -1.799 -3.129 O32 2KY 28 4P2 C33 C33 C 0 1 N N N 125.289 -9.935 9.071 0.901 -2.580 0.296 C33 2KY 29 4P2 C34 C34 C 0 1 N N N 126.568 -10.271 9.860 2.075 -1.905 1.034 C34 2KY 30 4P2 C35 C35 C 0 1 N N N 126.146 -10.261 11.330 2.011 -2.385 2.494 C35 2KY 31 4P2 C36 C36 C 0 1 N N N 124.624 -10.368 11.336 0.800 -3.336 2.592 C36 2KY 32 4P2 C37 C37 C 0 1 N N N 124.236 -10.681 9.900 0.595 -3.840 1.142 C37 2KY 33 4P2 N4 N4 N 0 1 N N R 122.908 -10.081 6.819 0.459 -0.717 -1.653 N HYP 34 4P2 C31 C31 C 0 1 N N S 121.763 -9.333 6.259 -0.300 -0.587 -0.404 CA HYP 35 4P2 C39 C39 C 0 1 N N N 121.226 -8.318 7.312 -1.597 -1.347 -0.516 C HYP 36 4P2 O40 O40 O 0 1 N N N 121.315 -8.522 8.529 -2.039 -1.635 -1.608 O HYP 37 4P2 C30 C30 C 0 1 N N N 120.696 -10.419 5.942 -0.591 0.902 -0.168 CB HYP 38 4P2 C2 C2 C 0 1 N N R 121.376 -11.784 6.161 -0.000 1.644 -1.383 CG HYP 39 4P2 C3 C3 C 0 1 N N N 122.547 -11.455 7.101 0.318 0.537 -2.415 CD HYP 40 4P2 N41 N41 N 0 1 N N N 120.697 -7.138 6.782 -2.265 -1.708 0.598 N20 0Y9 41 4P2 C42 C42 C 0 1 N N R 120.266 -6.000 7.615 -3.457 -2.553 0.495 C21 0Y9 42 4P2 C43 C43 C 0 1 N N S 121.426 -5.068 8.102 -3.301 -3.915 -0.185 C22 0Y9 43 4P2 C44 C44 C 0 1 N N N 120.484 -4.599 7.037 -3.488 -3.834 1.331 C23 0Y9 44 4P2 C47 C47 C 0 1 N N N 121.420 -4.469 9.451 -4.461 -4.420 -1.004 C24 0Y9 45 4P2 C48 C48 C 0 1 N N N 122.426 -4.547 10.329 -4.302 -4.670 -2.280 C25 0Y9 46 4P2 C45 C45 C 0 1 N N N 118.918 -6.152 8.373 -4.758 -1.820 0.295 C26 0Y9 47 4P2 O46 O46 O 0 1 N N N 118.703 -5.523 9.398 -5.798 -2.440 0.223 O27 0Y9 48 4P2 N49 N49 N 0 1 N N N 118.012 -7.040 7.794 -4.766 -0.476 0.196 N28 0YA 49 4P2 S S S 0 1 N N N 116.465 -7.315 8.289 -6.205 0.338 0.100 S29 0YA 50 4P2 O51 O51 O 0 1 N N N 115.941 -8.325 7.391 -5.828 1.703 -0.017 O30 0YA 51 4P2 O52 O52 O 0 1 N N N 116.421 -7.517 9.718 -6.910 -0.319 -0.944 O31 0YA 52 4P2 C53 C53 C 0 1 N N N 115.512 -5.825 7.876 -7.006 0.033 1.699 C32 0YA 53 4P2 C54 C54 C 0 1 N N N 114.498 -5.421 8.912 -7.153 1.220 2.653 C33 0YA 54 4P2 C55 C55 C 0 1 N N N 115.766 -4.626 8.742 -8.381 0.662 1.931 C34 0YA 55 4P2 H10 H10 H 0 1 N N N 128.618 -11.467 3.850 5.785 -1.035 -0.711 H10 2KX 56 4P2 H111 1H11 H 0 0 N N N 130.844 -11.076 4.580 7.275 -3.409 -1.174 1H11 2KX 57 4P2 H112 2H11 H 0 0 N N N 130.553 -9.324 4.849 7.908 -1.743 -1.100 2H11 2KX 58 4P2 H122 2H12 H 0 0 N N N 130.827 -10.815 2.181 8.301 -3.901 0.789 2H12 2KX 59 4P2 H121 1H12 H 0 0 N N N 131.747 -9.383 2.755 8.974 -2.251 0.838 1H12 2KX 60 4P2 H132 2H13 H 0 0 N N N 129.863 -7.935 2.558 6.819 -3.395 2.434 2H13 2KX 61 4P2 H131 1H13 H 0 0 N N N 129.604 -9.035 1.162 7.608 -1.802 2.595 1H13 2KX 62 4P2 H14 H14 H 0 1 N N N 127.795 -8.649 3.324 4.977 -2.282 1.691 H14 2KX 63 4P2 H151 1H15 H 0 0 N N N 128.067 -11.077 1.460 5.782 -0.199 2.719 1H15 2KX 64 4P2 H152 2H15 H 0 0 N N N 127.286 -9.516 1.033 6.840 0.111 1.325 2H15 2KX 65 4P2 H162 2H16 H 0 0 N N N 125.812 -10.085 3.194 4.468 -0.167 0.035 2H16 2KX 66 4P2 H161 1H16 H 0 0 N N N 126.302 -11.762 2.779 3.885 0.455 1.597 1H16 2KX 67 4P2 H171 1H17 H 0 0 N N N 125.533 -11.201 0.375 5.523 2.337 1.421 1H17 2KX 68 4P2 H172 2H17 H 0 0 N N N 124.738 -9.762 1.098 6.010 1.735 -0.180 2H17 2KX 69 4P2 H182 2H18 H 0 0 N N N 123.389 -11.991 0.750 4.393 3.429 -0.633 2H18 2KX 70 4P2 H181 1H18 H 0 0 N N N 124.238 -12.517 2.243 3.506 1.897 -0.809 1H18 2KX 71 4P2 H191 1H19 H 0 0 N N N 123.230 -10.763 3.544 2.490 2.127 1.352 1H19 2KX 72 4P2 H192 2H19 H 0 0 N N N 122.615 -9.932 2.075 3.588 3.453 1.804 2H19 2KX 73 4P2 H23 H23 H 0 1 N N N 119.325 -12.081 -0.828 2.018 7.780 1.538 H23 2KX 74 4P2 H24 H24 H 0 1 N N N 117.273 -13.541 -1.076 0.455 9.416 0.639 H24 2KX 75 4P2 H25 H25 H 0 1 N N N 116.492 -14.985 0.857 -1.215 8.773 -1.046 H25 2KX 76 4P2 H26 H26 H 0 1 N N N 117.734 -14.929 3.073 -1.342 6.481 -1.864 H26 2KX 77 4P2 H28 H28 H 0 1 N N N 119.699 -13.956 4.504 -0.455 4.146 -1.843 H28 2KX 78 4P2 H6 H6 H 0 1 N N N 125.142 -11.426 7.479 0.680 -3.787 -1.476 H6 2KY 79 4P2 H7 H7 H 0 1 N N N 127.235 -9.345 7.401 2.960 -4.310 -1.414 H7 2KY 80 4P2 H33 H33 H 0 1 N N N 125.100 -8.853 9.137 0.036 -1.917 0.267 H33 2KY 81 4P2 H341 1H34 H 0 0 N N N 126.948 -11.263 9.574 3.021 -2.204 0.583 1H34 2KY 82 4P2 H342 2H34 H 0 0 N N N 127.345 -9.514 9.676 1.968 -0.821 0.993 2H34 2KY 83 4P2 H352 2H35 H 0 0 N N N 126.591 -11.116 11.860 2.926 -2.918 2.752 2H35 2KY 84 4P2 H351 1H35 H 0 0 N N N 126.464 -9.325 11.812 1.872 -1.535 3.162 1H35 2KY 85 4P2 H361 1H36 H 0 0 N N N 124.173 -9.418 11.658 1.023 -4.170 3.258 1H36 2KY 86 4P2 H362 2H36 H 0 0 N N N 124.298 -11.176 12.008 -0.082 -2.797 2.939 2H36 2KY 87 4P2 H371 1H37 H 0 0 N N N 123.225 -10.310 9.677 -0.434 -4.168 0.989 1H37 2KY 88 4P2 H372 2H37 H 0 0 N N N 124.280 -11.763 9.708 1.295 -4.642 0.909 2H37 2KY 89 4P2 H31 H31 H 0 1 N N N 122.047 -8.804 5.338 0.287 -0.982 0.426 HA HYP 90 4P2 H302 2H30 H 0 0 N N N 120.359 -10.326 4.899 -1.667 1.071 -0.111 HB2 HYP 91 4P2 H301 1H30 H 0 0 N N N 119.834 -10.312 6.617 -0.109 1.240 0.749 HB3 HYP 92 4P2 H2 H2 H 0 1 N N N 120.683 -12.497 6.632 -0.716 2.344 -1.793 HG HYP 93 4P2 H32 2H3 H 0 1 N N N 122.236 -11.561 8.151 1.249 0.766 -2.934 HD22 HYP 94 4P2 H31A 1H3 H 0 0 N N N 123.398 -12.123 6.901 -0.498 0.449 -3.132 HD23 HYP 95 4P2 H41 H41 H 0 1 N N N 120.606 -7.062 5.789 -1.957 -1.407 1.467 H12 0Y9 96 4P2 H43 H43 H 0 1 N N N 122.417 -5.374 7.734 -2.312 -4.181 -0.557 H13 0Y9 97 4P2 H442 2H44 H 0 0 N N N 120.844 -4.487 6.004 -2.622 -4.048 1.957 H14 0Y9 98 4P2 H441 1H44 H 0 0 N N N 119.763 -3.800 7.263 -4.450 -4.147 1.737 H15 0Y9 99 4P2 H47 H47 H 0 1 N N N 120.536 -3.926 9.752 -5.423 -4.577 -0.538 H16 0Y9 100 4P2 H482 2H48 H 0 0 N N N 122.335 -4.077 11.297 -3.341 -4.513 -2.746 H17 0Y9 101 4P2 H481 1H48 H 0 0 N N N 123.329 -5.080 10.070 -5.134 -5.032 -2.867 H18 0Y9 102 4P2 H1 H1 H 0 1 N N N 118.332 -7.560 7.002 -3.930 0.014 0.182 H19 0YA 103 4P2 H53 H53 H 0 1 N N N 115.291 -5.702 6.805 -6.820 -0.947 2.138 H20 0YA 104 4P2 H541 1H54 H 0 0 N N N 113.534 -4.993 8.601 -7.063 1.021 3.721 H21 0YA 105 4P2 H542 2H54 H 0 0 N N N 114.352 -6.039 9.810 -6.767 2.184 2.320 H22 0YA 106 4P2 H552 2H55 H 0 0 N N N 116.546 -4.663 9.517 -8.804 1.260 1.124 H23 0YA 107 4P2 H551 1H55 H 0 0 N N N 115.728 -3.616 8.308 -9.099 0.097 2.525 H24 0YA 108 # 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 4P2 C24 C23 DOUB Y N 1 4P2 C24 C25 SING Y N 2 4P2 C23 C22 SING Y N 3 4P2 C25 C26 DOUB Y N 4 4P2 C22 N21 DOUB Y N 5 4P2 C22 C27 SING Y N 6 4P2 C17 C18 SING N N 7 4P2 C17 C16 SING N N 8 4P2 N21 C20 SING Y N 9 4P2 C18 C19 SING N N 10 4P2 C15 C16 SING N N 11 4P2 C15 C14 SING N N 12 4P2 C26 C27 SING Y N 13 4P2 C13 C12 SING N N 14 4P2 C13 C14 SING N N 15 4P2 C27 C28 DOUB Y N 16 4P2 C19 C20 SING N N 17 4P2 C20 C29 DOUB Y N 18 4P2 C12 C11 SING N N 19 4P2 C14 C10 SING N N 20 4P2 C28 C29 SING Y N 21 4P2 C29 O1 SING N N 22 4P2 C10 C11 SING N N 23 4P2 C10 O9 SING N N 24 4P2 O1 C2 SING N N 25 4P2 O38 C8 DOUB N N 26 4P2 O9 C8 SING N N 27 4P2 C8 N7 SING N N 28 4P2 C30 C2 SING N N 29 4P2 C30 C31 SING N N 30 4P2 C2 C3 SING N N 31 4P2 O32 C5 DOUB N N 32 4P2 C31 N4 SING N N 33 4P2 C31 C39 SING N N 34 4P2 N41 C39 SING N N 35 4P2 N41 C42 SING N N 36 4P2 C5 N4 SING N N 37 4P2 C5 C6 SING N N 38 4P2 N4 C3 SING N N 39 4P2 N7 C6 SING N N 40 4P2 C44 C42 SING N N 41 4P2 C44 C43 SING N N 42 4P2 C39 O40 DOUB N N 43 4P2 O51 S DOUB N N 44 4P2 C6 C33 SING N N 45 4P2 C42 C43 SING N N 46 4P2 C42 C45 SING N N 47 4P2 N49 S SING N N 48 4P2 N49 C45 SING N N 49 4P2 C53 S SING N N 50 4P2 C53 C55 SING N N 51 4P2 C53 C54 SING N N 52 4P2 C43 C47 SING N N 53 4P2 S O52 DOUB N N 54 4P2 C45 O46 DOUB N N 55 4P2 C55 C54 SING N N 56 4P2 C33 C34 SING N N 57 4P2 C33 C37 SING N N 58 4P2 C47 C48 DOUB N N 59 4P2 C34 C35 SING N N 60 4P2 C37 C36 SING N N 61 4P2 C35 C36 SING N N 62 4P2 C2 H2 SING N N 63 4P2 C3 H32 SING N N 64 4P2 C3 H31A SING N N 65 4P2 C6 H6 SING N N 66 4P2 N7 H7 SING N N 67 4P2 C10 H10 SING N N 68 4P2 C11 H111 SING N N 69 4P2 C11 H112 SING N N 70 4P2 C12 H122 SING N N 71 4P2 C12 H121 SING N N 72 4P2 C13 H132 SING N N 73 4P2 C13 H131 SING N N 74 4P2 C14 H14 SING N N 75 4P2 C15 H151 SING N N 76 4P2 C15 H152 SING N N 77 4P2 C16 H162 SING N N 78 4P2 C16 H161 SING N N 79 4P2 C17 H171 SING N N 80 4P2 C17 H172 SING N N 81 4P2 C18 H182 SING N N 82 4P2 C18 H181 SING N N 83 4P2 C19 H191 SING N N 84 4P2 C19 H192 SING N N 85 4P2 C23 H23 SING N N 86 4P2 C24 H24 SING N N 87 4P2 C25 H25 SING N N 88 4P2 C26 H26 SING N N 89 4P2 C28 H28 SING N N 90 4P2 C30 H302 SING N N 91 4P2 C30 H301 SING N N 92 4P2 C31 H31 SING N N 93 4P2 C33 H33 SING N N 94 4P2 C34 H341 SING N N 95 4P2 C34 H342 SING N N 96 4P2 C35 H352 SING N N 97 4P2 C35 H351 SING N N 98 4P2 C36 H361 SING N N 99 4P2 C36 H362 SING N N 100 4P2 C37 H371 SING N N 101 4P2 C37 H372 SING N N 102 4P2 N41 H41 SING N N 103 4P2 C43 H43 SING N N 104 4P2 C44 H442 SING N N 105 4P2 C44 H441 SING N N 106 4P2 C47 H47 SING N N 107 4P2 C48 H482 SING N N 108 4P2 C48 H481 SING N N 109 4P2 N49 H1 SING N N 110 4P2 C53 H53 SING N N 111 4P2 C54 H541 SING N N 112 4P2 C54 H542 SING N N 113 4P2 C55 H552 SING N N 114 4P2 C55 H551 SING N N 115 # 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 4P2 SMILES ACDLabs 12.01 "O=S(=O)(NC(=O)C7(NC(=O)C1N2C(=O)C(NC(=O)OC5CCCC5CCCCCc3nc4c(cc3OC(C1)C2)cccc4)C6CCCC6)CC7/C=C)C8CC8" 4P2 InChI InChI 1.03 ;InChI=1S/C41H53N5O8S/c1-2-28-23-41(28,39(49)45-55(51,52)30-19-20-30)44-37(47)33-22-29-24-46(33)38(48)36(26-12-6-7-13-26)43-40(50)54-34-18-10-15-25(34)11-4-3-5-17-32-35(53-29)21-27-14-8-9-16-31(27)42-32/h2,8-9,14,16,21,25-26,28-30,33-34,36H,1,3-7,10-13,15,17-20,22-24H2,(H,43,50)(H,44,47)(H,45,49)/t25-,28-,29-,33+,34-,36+,41-/m1/s1 ; 4P2 InChIKey InChI 1.03 WCDQARZRKZMRHJ-BOPIDSSTSA-N 4P2 SMILES_CANONICAL CACTVS 3.385 "C=C[C@@H]1C[C@]1(NC(=O)[C@@H]2C[C@@H]3C[N@@]2C(=O)[C@@H](NC(=O)O[C@@H]4CCC[C@H]4CCCCCc5nc6ccccc6cc5O3)C7CCCC7)C(=O)N[S](=O)(=O)C8CC8" 4P2 SMILES CACTVS 3.385 "C=C[CH]1C[C]1(NC(=O)[CH]2C[CH]3C[N]2C(=O)[CH](NC(=O)O[CH]4CCC[CH]4CCCCCc5nc6ccccc6cc5O3)C7CCCC7)C(=O)N[S](=O)(=O)C8CC8" 4P2 SMILES_CANONICAL "OpenEye OEToolkits" 1.7.6 "C=C[C@@H]1C[C@@]1(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@@H]3C[C@@H]4CN3C(=O)[C@@H](NC(=O)O[C@@H]5CCC[C@H]5CCCCCc6c(cc7ccccc7n6)O4)C8CCCC8" 4P2 SMILES "OpenEye OEToolkits" 1.7.6 "C=CC1CC1(C(=O)NS(=O)(=O)C2CC2)NC(=O)C3CC4CN3C(=O)C(NC(=O)OC5CCCC5CCCCCc6c(cc7ccccc7n6)O4)C8CCCC8" # 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 4P2 "SYSTEMATIC NAME" ACDLabs 12.01 ;(3aR,7S,10S,12R,24aR)-7-cyclopentyl-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-5,8-dioxo-1,2,3,3a,5,6,7,8,11,12,20,21,22,23,24,24a-hexadecahydro-10H-9,12-methanocyclopenta[18,19][1,10,3,6]dioxadiazacyclononadecino[12,11-b]quinoline-10-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 4P2 "Create component" 2013-11-22 RCSB 4P2 "Initial release" 2019-01-30 RCSB #