data_KYO
# 
_chem_comp.id                                    KYO 
_chem_comp.name                                  
;(9S,14S,15R,16S,17R,18R,19R,20S,21S,25R)-5,6,18,20-tetrahydroxy-14-methoxy-7,9,15,17,19,21,25-heptamethyl-1'-(2-methylpropyl)-10,26-dioxo-1,3,9,10-tetrahydrospiro[9,4-(epoxypentadecanoimino)furo[2',3':7,8]naphtho[1,2-d]imidazole-2,4'-piperidin]-16-yl benzoate
;
_chem_comp.type                                  non-polymer 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C51 H72 N4 O11" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2022-02-23 
_chem_comp.pdbx_modified_date                    2022-10-14 
_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                        917.138 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     KYO 
_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        7U22 
_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 
KYO C2  C1  C 0 1 Y N N 160.614 164.304 18.889 4.355  -0.906 0.751  C2  KYO 1   
KYO C3  C2  C 0 1 Y N N 159.174 164.663 18.783 3.443  0.163  0.565  C3  KYO 2   
KYO C5  C3  C 0 1 Y N N 158.210 165.344 22.547 1.436  -1.080 -2.387 C5  KYO 3   
KYO C6  C4  C 0 1 Y N N 158.855 165.196 23.871 1.625  -2.022 -3.417 C6  KYO 4   
KYO C7  C5  C 0 1 Y N N 160.210 164.877 24.134 2.764  -2.813 -3.427 C7  KYO 5   
KYO C8  C6  C 0 1 Y N N 161.115 164.621 22.911 3.713  -2.746 -2.425 C8  KYO 6   
KYO C10 C7  C 0 1 Y N N 158.988 165.041 21.283 2.513  -0.896 -1.409 C10 KYO 7   
KYO C11 C8  C 0 1 N N N 156.886 165.739 22.792 0.139  -0.519 -2.564 C11 KYO 8   
KYO C13 C9  C 0 1 N N N 156.121 166.989 24.867 -0.863 -2.811 -2.633 C13 KYO 9   
KYO C15 C10 C 0 1 N N N 162.287 164.863 16.949 5.084  -2.106 2.717  C15 KYO 10  
KYO C19 C11 C 0 1 N N N 162.709 160.631 16.497 0.145  -2.386 3.426  C19 KYO 11  
KYO C21 C12 C 0 1 N N S 161.054 159.300 17.948 -2.299 -2.213 3.082  C21 KYO 12  
KYO C22 C13 C 0 1 N N R 159.976 158.181 18.066 -3.554 -2.802 2.451  C22 KYO 13  
KYO C23 C14 C 0 1 N N R 159.290 158.152 19.464 -4.634 -1.713 2.353  C23 KYO 14  
KYO C24 C15 C 0 1 N N R 158.272 159.295 19.702 -5.336 -1.767 0.997  C24 KYO 15  
KYO C26 C16 C 0 1 N N R 157.215 160.797 21.525 -5.189 -1.108 -1.440 C26 KYO 16  
KYO C28 C17 C 0 1 N N N 156.948 162.455 23.459 -3.035 -0.165 -2.336 C28 KYO 17  
KYO C31 C18 C 0 1 N N N 160.651 159.776 15.480 -1.004 -3.972 1.847  C31 KYO 18  
KYO C35 C19 C 0 1 N N N 156.560 157.272 21.407 -3.603 1.172  0.543  C35 KYO 19  
KYO C37 C20 C 0 1 N N N 157.094 165.128 18.224 2.705  2.278  0.290  C37 KYO 20  
KYO C38 C21 C 0 1 N N N 156.041 164.005 17.886 3.795  2.767  -0.645 C38 KYO 21  
KYO O1  O1  O 0 1 N N N 162.555 163.861 20.379 5.406  -2.832 -0.153 O1  KYO 22  
KYO C4  C22 C 0 1 Y N N 158.418 165.044 19.936 2.548  0.156  -0.488 C4  KYO 23  
KYO C9  C23 C 0 1 Y N N 160.475 164.645 21.472 3.577  -1.838 -1.354 C9  KYO 24  
KYO C17 C24 C 0 1 N N N 163.089 162.912 15.318 2.608  -2.148 3.051  C17 KYO 25  
KYO C18 C25 C 0 1 N N N 162.181 161.827 15.915 1.375  -3.013 2.773  C18 KYO 26  
KYO C20 C26 C 0 1 N N S 161.677 159.502 16.542 -1.129 -3.192 3.154  C20 KYO 27  
KYO C30 C27 C 0 1 N N N 163.648 165.242 14.858 3.797  -4.101 1.985  C30 KYO 28  
KYO C32 C28 C 0 1 N N N 160.531 156.816 17.704 -4.093 -3.949 3.309  C32 KYO 29  
KYO C34 C29 C 0 1 N N N 158.480 161.590 21.392 -4.958 -2.544 -1.912 C34 KYO 30  
KYO C1  C30 C 0 1 Y N N 161.289 164.257 20.251 4.457  -1.856 -0.250 C1  KYO 31  
KYO C12 C31 C 0 1 N N S 156.641 165.709 24.295 -0.536 -1.560 -3.474 C12 KYO 32  
KYO C14 C32 C 0 1 N N N 160.793 164.759 25.523 2.978  -3.789 -4.556 C14 KYO 33  
KYO C16 C33 C 0 1 N N R 163.348 164.287 15.989 3.886  -2.977 3.011  C16 KYO 34  
KYO C25 C34 C 0 1 N N S 157.512 159.343 21.062 -4.611 -0.914 -0.039 C25 KYO 35  
KYO C27 C35 C 0 1 N N S 156.689 161.016 22.956 -4.557 -0.137 -2.437 C27 KYO 36  
KYO C29 C36 C 0 1 N N N 156.207 163.113 24.467 -2.375 0.046  -3.691 C29 KYO 37  
KYO C33 C37 C 0 1 N N N 157.241 159.248 18.612 -6.769 -1.251 1.178  C33 KYO 38  
KYO C36 C38 C 0 1 N N N 156.495 159.539 24.839 -5.076 2.000  -3.387 C36 KYO 39  
KYO C39 C39 C 0 1 N N N 156.653 166.574 17.691 1.953  3.410  0.946  C39 KYO 40  
KYO C40 C40 C 0 1 N N N 154.831 164.259 16.940 3.304  3.867  -1.566 C40 KYO 41  
KYO C41 C41 C 0 1 N N N 155.352 166.802 16.855 1.544  4.472  -0.056 C41 KYO 42  
KYO C42 C42 C 0 1 N N N 153.964 165.708 15.704 3.725  5.423  0.205  C42 KYO 43  
KYO C43 C43 C 0 1 N N N 152.704 165.903 14.798 3.305  6.748  0.845  C43 KYO 44  
KYO C44 C44 C 0 1 N N N 152.855 167.150 13.902 4.273  7.098  1.977  C44 KYO 45  
KYO C45 C45 C 0 1 N N N 152.424 164.635 13.949 3.333  7.855  -0.211 C45 KYO 46  
KYO C47 C46 C 0 1 Y N N 152.906 156.280 21.060 -4.919 4.651  1.061  C47 KYO 47  
KYO C48 C47 C 0 1 Y N N 152.937 155.029 21.666 -3.746 5.351  1.285  C48 KYO 48  
KYO C49 C48 C 0 1 Y N N 154.131 154.532 22.184 -2.528 4.696  1.268  C49 KYO 49  
KYO C50 C49 C 0 1 Y N N 155.294 155.297 22.091 -2.474 3.339  1.028  C50 KYO 50  
KYO C51 C50 C 0 1 Y N N 155.273 156.550 21.479 -3.653 2.626  0.801  C51 KYO 51  
KYO C52 C51 C 0 1 Y N N 154.079 157.043 20.966 -4.880 3.293  0.824  C52 KYO 52  
KYO N1  N1  N 0 1 N N N 161.283 163.978 17.628 5.017  -0.990 1.972  N1  KYO 53  
KYO N2  N2  N 0 1 N N N 158.323 164.819 17.738 3.290  1.363  1.321  N2  KYO 54  
KYO N3  N3  N 0 1 N N N 157.181 165.191 19.567 1.774  1.365  -0.445 N3  KYO 55  
KYO N4  N4  N 0 1 N N N 154.265 165.708 17.146 2.707  5.018  -0.824 N4  KYO 56  
KYO O10 O2  O 0 1 N N N 162.081 159.069 18.838 -2.602 -1.763 4.409  O10 KYO 57  
KYO O11 O3  O 0 1 N N N 162.208 166.065 17.127 6.144  -2.412 3.242  O11 KYO 58  
KYO O2  O4  O 0 1 N N N 162.370 164.401 23.065 4.784  -3.576 -2.496 O2  KYO 59  
KYO O3  O5  O 0 1 N N N 157.949 165.387 24.890 0.580  -1.969 -4.316 O3  KYO 60  
KYO O4  O6  O 0 1 N N N 155.942 166.054 22.017 -0.301 0.513  -2.108 O4  KYO 61  
KYO O5  O7  O 0 1 N N N 155.798 164.604 24.484 -1.647 -1.074 -4.159 O5  KYO 62  
KYO O6  O8  O 0 1 N N N 157.255 160.086 23.807 -5.030 1.190  -2.210 O6  KYO 63  
KYO O7  O9  O 0 1 N N N 156.379 158.572 20.943 -4.743 0.488  0.325  O7  KYO 64  
KYO O8  O10 O 0 1 N N N 157.618 156.818 21.674 -2.535 0.594  0.528  O8  KYO 65  
KYO O9  O11 O 0 1 N N N 160.234 158.128 20.460 -4.059 -0.427 2.568  O9  KYO 66  
KYO H1  H1  H 0 1 N N N 155.975 166.874 25.951 -1.535 -2.536 -1.820 H1  KYO 67  
KYO H2  H2  H 0 1 N N N 156.845 167.796 24.678 -1.342 -3.558 -3.265 H2  KYO 68  
KYO H3  H3  H 0 1 N N N 155.161 167.239 24.392 0.058  -3.221 -2.220 H3  KYO 69  
KYO H4  H4  H 0 1 N N N 163.571 160.298 15.901 0.311  -2.330 4.508  H4  KYO 70  
KYO H5  H5  H 0 1 N N N 163.036 160.852 17.524 0.011  -1.370 3.048  H5  KYO 71  
KYO H6  H6  H 0 1 N N N 160.558 160.245 18.214 -1.976 -1.345 2.492  H6  KYO 72  
KYO H7  H7  H 0 1 N N N 159.191 158.418 17.333 -3.354 -3.161 1.444  H7  KYO 73  
KYO H8  H8  H 0 1 N N N 158.716 157.214 19.505 -5.376 -1.905 3.138  H8  KYO 74  
KYO H9  H9  H 0 1 N N N 158.820 160.244 19.605 -5.381 -2.807 0.666  H9  KYO 75  
KYO H10 H10 H 0 1 N N N 156.473 161.218 20.830 -6.268 -0.918 -1.416 H10 KYO 76  
KYO H11 H11 H 0 1 N N N 157.989 162.457 23.814 -2.716 0.637  -1.662 H11 KYO 77  
KYO H12 H12 H 0 1 N N N 156.862 163.095 22.569 -2.710 -1.105 -1.905 H12 KYO 78  
KYO H13 H13 H 0 1 N N N 159.893 158.979 15.487 -0.160 -4.658 1.914  H13 KYO 79  
KYO H14 H14 H 0 1 N N N 160.167 160.744 15.679 -1.919 -4.537 1.673  H14 KYO 80  
KYO H15 H15 H 0 1 N N N 161.141 159.806 14.496 -0.843 -3.276 1.023  H15 KYO 81  
KYO H16 H16 H 0 1 N N N 155.616 163.683 18.848 4.676  3.070  -0.084 H16 KYO 82  
KYO H17 H17 H 0 1 N N N 156.610 163.175 17.441 4.107  1.913  -1.275 H17 KYO 83  
KYO H18 H18 H 0 1 N N N 162.807 163.895 21.294 6.275  -2.569 -0.485 H18 KYO 84  
KYO H19 H19 H 0 1 N N N 164.078 162.444 15.203 2.653  -1.348 2.310  H19 KYO 85  
KYO H20 H20 H 0 1 N N N 162.672 163.137 14.325 2.503  -1.694 4.042  H20 KYO 86  
KYO H21 H21 H 0 1 N N N 161.591 162.318 16.703 1.513  -4.010 3.184  H21 KYO 87  
KYO H22 H22 H 0 1 N N N 161.512 161.505 15.103 1.252  -3.058 1.689  H22 KYO 88  
KYO H23 H23 H 0 1 N N N 162.196 158.569 16.277 -1.282 -3.889 3.982  H23 KYO 89  
KYO H24 H24 H 0 1 N N N 163.843 166.245 15.266 3.511  -3.688 1.018  H24 KYO 90  
KYO H25 H25 H 0 1 N N N 164.534 164.892 14.308 4.767  -4.591 1.899  H25 KYO 91  
KYO H26 H26 H 0 1 N N N 162.786 165.285 14.176 3.050  -4.827 2.305  H26 KYO 92  
KYO H27 H27 H 0 1 N N N 159.738 156.060 17.801 -4.337 -3.576 4.303  H27 KYO 93  
KYO H28 H28 H 0 1 N N N 160.897 156.832 16.667 -4.990 -4.359 2.845  H28 KYO 94  
KYO H29 H29 H 0 1 N N N 161.361 156.566 18.382 -3.336 -4.729 3.388  H29 KYO 95  
KYO H30 H30 H 0 1 N N N 158.299 162.626 21.714 -3.887 -2.737 -1.978 H30 KYO 96  
KYO H31 H31 H 0 1 N N N 159.262 161.142 22.023 -5.409 -3.237 -1.202 H31 KYO 97  
KYO H32 H32 H 0 1 N N N 158.808 161.584 20.342 -5.412 -2.682 -2.893 H32 KYO 98  
KYO H33 H33 H 0 1 N N N 161.183 165.737 25.842 3.527  -3.300 -5.360 H33 KYO 99  
KYO H34 H34 H 0 1 N N N 160.010 164.431 26.222 3.548  -4.644 -4.194 H34 KYO 100 
KYO H35 H35 H 0 1 N N N 161.610 164.023 25.516 2.012  -4.128 -4.930 H35 KYO 101 
KYO H36 H36 H 0 1 N N N 164.274 164.180 16.573 4.037  -3.422 4.006  H36 KYO 102 
KYO H37 H37 H 0 1 N N N 158.177 158.896 21.816 -3.552 -1.176 -0.055 H37 KYO 103 
KYO H38 H38 H 0 1 N N N 155.599 160.871 22.930 -4.840 -0.443 -3.450 H38 KYO 104 
KYO H39 H39 H 0 1 N N N 155.261 162.556 24.535 -3.164 0.265  -4.422 H39 KYO 105 
KYO H40 H40 H 0 1 N N N 156.787 162.965 25.390 -1.722 0.918  -3.645 H40 KYO 106 
KYO H41 H41 H 0 1 N N N 156.508 160.054 18.765 -6.741 -0.224 1.544  H41 KYO 107 
KYO H42 H42 H 0 1 N N N 157.732 159.379 17.637 -7.289 -1.281 0.221  H42 KYO 108 
KYO H43 H43 H 0 1 N N N 156.727 158.276 18.635 -7.294 -1.879 1.897  H43 KYO 109 
KYO H44 H44 H 0 1 N N N 157.108 158.824 25.407 -5.445 2.992  -3.131 H44 KYO 110 
KYO H45 H45 H 0 1 N N N 156.154 160.342 25.509 -4.074 2.083  -3.810 H45 KYO 111 
KYO H46 H46 H 0 1 N N N 155.623 159.019 24.416 -5.741 1.541  -4.118 H46 KYO 112 
KYO H47 H47 H 0 1 N N N 157.484 166.936 17.067 1.034  2.997  1.401  H47 KYO 113 
KYO H48 H48 H 0 1 N N N 156.559 167.212 18.582 2.527  3.835  1.765  H48 KYO 114 
KYO H49 H49 H 0 1 N N N 154.040 163.527 17.160 4.136  4.256  -2.158 H49 KYO 115 
KYO H50 H50 H 0 1 N N N 155.158 164.143 15.896 2.540  3.475  -2.240 H50 KYO 116 
KYO H51 H51 H 0 1 N N N 155.608 166.773 15.786 0.841  4.056  -0.779 H51 KYO 117 
KYO H52 H52 H 0 1 N N N 154.938 167.790 17.106 1.069  5.311  0.457  H52 KYO 118 
KYO H53 H53 H 0 1 N N N 154.324 164.717 15.391 4.697  5.543  -0.273 H53 KYO 119 
KYO H54 H54 H 0 1 N N N 154.646 166.483 15.324 3.791  4.653  0.974  H54 KYO 120 
KYO H55 H55 H 0 1 N N N 151.839 166.064 15.459 2.296  6.654  1.246  H55 KYO 121 
KYO H56 H56 H 0 1 N N N 153.052 168.031 14.530 5.282  7.192  1.576  H56 KYO 122 
KYO H57 H57 H 0 1 N N N 153.693 167.001 13.205 3.974  8.042  2.432  H57 KYO 123 
KYO H58 H58 H 0 1 N N N 151.927 167.306 13.332 4.253  6.309  2.728  H58 KYO 124 
KYO H59 H59 H 0 1 N N N 152.321 163.764 14.613 4.342  7.950  -0.612 H59 KYO 125 
KYO H60 H60 H 0 1 N N N 151.493 164.773 13.379 2.644  7.606  -1.017 H60 KYO 126 
KYO H61 H61 H 0 1 N N N 153.259 164.469 13.252 3.034  8.799  0.245  H61 KYO 127 
KYO H62 H62 H 0 1 N N N 151.979 156.664 20.662 -5.866 5.169  1.075  H62 KYO 128 
KYO H63 H63 H 0 1 N N N 152.034 154.441 21.735 -3.783 6.414  1.473  H63 KYO 129 
KYO H64 H64 H 0 1 N N N 154.156 153.560 22.655 -1.617 5.249  1.443  H64 KYO 130 
KYO H65 H65 H 0 1 N N N 156.219 154.915 22.497 -1.522 2.829  1.014  H65 KYO 131 
KYO H66 H66 H 0 1 N N N 154.054 158.014 20.495 -5.796 2.747  0.650  H66 KYO 132 
KYO H67 H67 H 0 1 N N N 161.056 163.108 17.190 5.456  -0.171 2.321  H67 KYO 133 
KYO H68 H68 H 0 1 N N N 158.274 163.969 17.213 4.299  1.705  1.381  H68 KYO 134 
KYO H69 H69 H 0 1 N N N 156.845 166.079 19.880 1.053  1.132  0.304  H69 KYO 135 
KYO H71 H71 H 0 1 N N N 161.723 158.942 19.709 -1.848 -1.376 4.874  H71 KYO 136 
KYO H72 H72 H 0 1 N N N 162.584 164.422 23.990 5.537  -3.206 -2.976 H72 KYO 137 
KYO H73 H73 H 0 1 N N N 159.802 158.110 21.306 -3.638 -0.324 3.432  H73 KYO 138 
# 
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 
KYO C44 C43 SING N N 1   
KYO C45 C43 SING N N 2   
KYO C43 C42 SING N N 3   
KYO C30 C16 SING N N 4   
KYO C17 C18 SING N N 5   
KYO C17 C16 SING N N 6   
KYO C31 C20 SING N N 7   
KYO C42 N4  SING N N 8   
KYO C18 C19 SING N N 9   
KYO C16 C15 SING N N 10  
KYO C19 C20 SING N N 11  
KYO C20 C21 SING N N 12  
KYO C41 N4  SING N N 13  
KYO C41 C39 SING N N 14  
KYO C40 N4  SING N N 15  
KYO C40 C38 SING N N 16  
KYO C15 O11 DOUB N N 17  
KYO C15 N1  SING N N 18  
KYO N1  C2  SING N N 19  
KYO C39 C37 SING N N 20  
KYO C32 C22 SING N N 21  
KYO N2  C37 SING N N 22  
KYO N2  C3  SING N N 23  
KYO C38 C37 SING N N 24  
KYO C21 C22 SING N N 25  
KYO C21 O10 SING N N 26  
KYO C22 C23 SING N N 27  
KYO C37 N3  SING N N 28  
KYO C33 C24 SING N N 29  
KYO C3  C2  DOUB Y N 30  
KYO C3  C4  SING Y N 31  
KYO C2  C1  SING Y N 32  
KYO C23 C24 SING N N 33  
KYO C23 O9  SING N N 34  
KYO N3  C4  SING N N 35  
KYO C24 C25 SING N N 36  
KYO C4  C10 DOUB Y N 37  
KYO C1  O1  SING N N 38  
KYO C1  C9  DOUB Y N 39  
KYO O7  C25 SING N N 40  
KYO O7  C35 SING N N 41  
KYO C52 C47 DOUB Y N 42  
KYO C52 C51 SING Y N 43  
KYO C47 C48 SING Y N 44  
KYO C25 C26 SING N N 45  
KYO C10 C9  SING Y N 46  
KYO C10 C5  SING Y N 47  
KYO C34 C26 SING N N 48  
KYO C35 C51 SING N N 49  
KYO C35 O8  DOUB N N 50  
KYO C9  C8  SING Y N 51  
KYO C51 C50 DOUB Y N 52  
KYO C26 C27 SING N N 53  
KYO C48 C49 DOUB Y N 54  
KYO O4  C11 DOUB N N 55  
KYO C50 C49 SING Y N 56  
KYO C5  C11 SING N N 57  
KYO C5  C6  DOUB Y N 58  
KYO C11 C12 SING N N 59  
KYO C8  O2  SING N N 60  
KYO C8  C7  DOUB Y N 61  
KYO C27 C28 SING N N 62  
KYO C27 O6  SING N N 63  
KYO C28 C29 SING N N 64  
KYO O6  C36 SING N N 65  
KYO C6  C7  SING Y N 66  
KYO C6  O3  SING N N 67  
KYO C7  C14 SING N N 68  
KYO C12 O5  SING N N 69  
KYO C12 C13 SING N N 70  
KYO C12 O3  SING N N 71  
KYO C29 O5  SING N N 72  
KYO C13 H1  SING N N 73  
KYO C13 H2  SING N N 74  
KYO C13 H3  SING N N 75  
KYO C19 H4  SING N N 76  
KYO C19 H5  SING N N 77  
KYO C21 H6  SING N N 78  
KYO C22 H7  SING N N 79  
KYO C23 H8  SING N N 80  
KYO C24 H9  SING N N 81  
KYO C26 H10 SING N N 82  
KYO C28 H11 SING N N 83  
KYO C28 H12 SING N N 84  
KYO C31 H13 SING N N 85  
KYO C31 H14 SING N N 86  
KYO C31 H15 SING N N 87  
KYO C38 H16 SING N N 88  
KYO C38 H17 SING N N 89  
KYO O1  H18 SING N N 90  
KYO C17 H19 SING N N 91  
KYO C17 H20 SING N N 92  
KYO C18 H21 SING N N 93  
KYO C18 H22 SING N N 94  
KYO C20 H23 SING N N 95  
KYO C30 H24 SING N N 96  
KYO C30 H25 SING N N 97  
KYO C30 H26 SING N N 98  
KYO C32 H27 SING N N 99  
KYO C32 H28 SING N N 100 
KYO C32 H29 SING N N 101 
KYO C34 H30 SING N N 102 
KYO C34 H31 SING N N 103 
KYO C34 H32 SING N N 104 
KYO C14 H33 SING N N 105 
KYO C14 H34 SING N N 106 
KYO C14 H35 SING N N 107 
KYO C16 H36 SING N N 108 
KYO C25 H37 SING N N 109 
KYO C27 H38 SING N N 110 
KYO C29 H39 SING N N 111 
KYO C29 H40 SING N N 112 
KYO C33 H41 SING N N 113 
KYO C33 H42 SING N N 114 
KYO C33 H43 SING N N 115 
KYO C36 H44 SING N N 116 
KYO C36 H45 SING N N 117 
KYO C36 H46 SING N N 118 
KYO C39 H47 SING N N 119 
KYO C39 H48 SING N N 120 
KYO C40 H49 SING N N 121 
KYO C40 H50 SING N N 122 
KYO C41 H51 SING N N 123 
KYO C41 H52 SING N N 124 
KYO C42 H53 SING N N 125 
KYO C42 H54 SING N N 126 
KYO C43 H55 SING N N 127 
KYO C44 H56 SING N N 128 
KYO C44 H57 SING N N 129 
KYO C44 H58 SING N N 130 
KYO C45 H59 SING N N 131 
KYO C45 H60 SING N N 132 
KYO C45 H61 SING N N 133 
KYO C47 H62 SING N N 134 
KYO C48 H63 SING N N 135 
KYO C49 H64 SING N N 136 
KYO C50 H65 SING N N 137 
KYO C52 H66 SING N N 138 
KYO N1  H67 SING N N 139 
KYO N2  H68 SING N N 140 
KYO N3  H69 SING N N 141 
KYO O10 H71 SING N N 142 
KYO O2  H72 SING N N 143 
KYO O9  H73 SING N N 144 
# 
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 
KYO SMILES           ACDLabs              12.01 "CC(C)CN1CCC2(CC1)Nc1c(N2)c2c3C(=O)C4(C)Oc3c(C)c(O)c2c(O)c1NC(=O)C(C)CCCC(C)C(O)C(C)C(O)C(C)C(OC(=O)c1ccccc1)C(C)C(OC)CCO4"                                                                                                                                                                                                                                         
KYO InChI            InChI                1.03  "InChI=1S/C51H72N4O11/c1-26(2)25-55-22-20-51(21-23-55)53-38-35-36-43(58)32(8)46-37(35)47(60)50(9,66-46)64-24-19-34(63-10)29(5)45(65-49(62)33-17-12-11-13-18-33)31(7)42(57)30(6)41(56)27(3)15-14-16-28(4)48(61)52-40(44(36)59)39(38)54-51/h11-13,17-18,26-31,34,41-42,45,53-54,56-59H,14-16,19-25H2,1-10H3,(H,52,61)/t27-,28+,29+,30+,31+,34-,41-,42+,45+,50-/m0/s1" 
KYO InChIKey         InChI                1.03  MCRVPMWRSBLOPF-ZGLABKAESA-N                                                                                                                                                                                                                                                                                                                                         
KYO SMILES_CANONICAL CACTVS               3.385 "CO[C@H]1CCO[C@@]2(C)Oc3c(C)c(O)c4c(O)c(NC(=O)[C@H](C)CCC[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)c5ccccc5)[C@@H]1C)c6NC7(CCN(CC7)CC(C)C)Nc6c4c3C2=O"                                                                                                                                                                                                 
KYO SMILES           CACTVS               3.385 "CO[CH]1CCO[C]2(C)Oc3c(C)c(O)c4c(O)c(NC(=O)[CH](C)CCC[CH](C)[CH](O)[CH](C)[CH](O)[CH](C)[CH](OC(=O)c5ccccc5)[CH]1C)c6NC7(CCN(CC7)CC(C)C)Nc6c4c3C2=O"                                                                                                                                                                                                                
KYO SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "Cc1c(c2c3c4c1O[C@@](C4=O)(OCC[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](CCC[C@H](C(=O)Nc(c2O)c5c3NC6(N5)CCN(CC6)CC(C)C)C)C)O)C)O)C)OC(=O)c7ccccc7)C)OC)C)O"                                                                                                                                                                                               
KYO SMILES           "OpenEye OEToolkits" 2.0.7 "Cc1c(c2c3c4c1OC(C4=O)(OCCC(C(C(C(C(C(C(C(CCCC(C(=O)Nc(c2O)c5c3NC6(N5)CCN(CC6)CC(C)C)C)C)O)C)O)C)OC(=O)c7ccccc7)C)OC)C)O"                                                                                                                                                                                                                                           
# 
_pdbx_chem_comp_identifier.comp_id           KYO 
_pdbx_chem_comp_identifier.type              "SYSTEMATIC NAME" 
_pdbx_chem_comp_identifier.program           ACDLabs 
_pdbx_chem_comp_identifier.program_version   12.01 
_pdbx_chem_comp_identifier.identifier        
;(9S,14S,15R,16S,17R,18R,19R,20S,21S,25R)-5,6,18,20-tetrahydroxy-14-methoxy-7,9,15,17,19,21,25-heptamethyl-1'-(2-methylpropyl)-10,26-dioxo-1,3,9,10-tetrahydrospiro[9,4-(epoxypentadecanoimino)furo[2',3':7,8]naphtho[1,2-d]imidazole-2,4'-piperidin]-16-yl benzoate
;
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
KYO "Create component" 2022-02-23 RCSB 
KYO "Initial release"  2022-10-19 RCSB 
# 
