data_8CW
# 
_chem_comp.id                                    8CW 
_chem_comp.name                                  "[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl [(~{S})-azanyl-[[(5~{S},6~{E},8~{S},9~{S},12~{R},13~{E},15~{E})-21-chloranyl-12,20-dimethoxy-6,8,16-trimethyl-5-oxidanyl-3,11-bis(oxidanylidene)-2-azabicyclo[16.3.1]docosa-1(21),6,13,15,18(22),19-hexaen-9-yl]oxy]-oxidanyl-methyl] hydrogen phosphate" 
_chem_comp.type                                  non-polymer 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C37 H49 Cl N7 O14 P" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2021-12-06 
_chem_comp.pdbx_modified_date                    2022-11-11 
_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                        882.250 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     8CW 
_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        7VZZ 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  PDBJ 
# 
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 
8CW C14 C1  C  0 1 N N S -3.475 148.782 486.645 -1.083  1.474  0.956  C14 8CW 1   
8CW C22 C2  C  0 1 N N N 2.282  150.567 482.708 4.100   -3.639 0.384  C22 8CW 2   
8CW C23 C3  C  0 1 N N N 3.471  151.584 482.687 5.406   -3.835 -0.243 C23 8CW 3   
8CW C33 C4  C  0 1 N N N -1.997 153.681 482.986 4.020   2.755  -1.479 C33 8CW 4   
8CW C34 C5  C  0 1 N N N -1.938 153.186 481.473 3.633   2.567  -2.923 C34 8CW 5   
8CW C35 C6  C  0 1 N N S -1.433 155.102 483.271 5.445   3.086  -1.116 C35 8CW 6   
8CW C37 C7  C  0 1 N N N 0.033  155.011 482.931 6.381   2.568  -2.211 C37 8CW 7   
8CW C24 C8  C  0 1 N N N 3.941  151.967 481.491 6.516   -3.300 0.262  C24 8CW 8   
8CW C43 C9  C  0 1 Y N N 3.667  155.972 479.445 10.758  -1.194 -0.140 C43 8CW 9   
8CW C45 C10 C  0 1 N N N 4.524  155.998 477.143 12.556  -2.502 0.701  C45 8CW 10  
8CW C46 C11 C  0 1 Y N N 4.411  154.789 479.752 9.978   -2.339 -0.093 C46 8CW 11  
8CW C47 C12 C  0 1 Y N N 4.312  154.301 481.058 8.653   -2.295 -0.493 C47 8CW 12  
8CW C48 C13 C  0 1 Y N N 3.496  154.900 482.042 8.105   -1.108 -0.938 C48 8CW 13  
8CW O56 O1  O  0 1 N N N 1.451  142.582 486.183 -10.767 2.033  -0.502 O56 8CW 14  
8CW C02 C14 C  0 1 Y N N -0.139 138.045 489.162 -11.451 -3.672 -1.510 C02 8CW 15  
8CW C03 C15 C  0 1 Y N N -0.535 139.222 488.479 -10.514 -2.849 -0.862 C03 8CW 16  
8CW C05 C16 C  0 1 Y N N -1.425 140.827 487.283 -8.993  -1.912 0.367  C05 8CW 17  
8CW C07 C17 C  0 1 N N R 0.044  142.762 487.929 -8.929  0.424  -0.586 C07 8CW 18  
8CW C09 C18 C  0 1 N N R -0.979 144.962 487.400 -7.426  1.916  0.300  C09 8CW 19  
8CW C10 C19 C  0 1 N N N -2.354 145.046 486.726 -6.313  2.085  1.336  C10 8CW 20  
8CW C17 C20 C  0 1 N N S -2.461 150.412 484.739 1.142   1.274  0.088  C17 8CW 21  
8CW C18 C21 C  0 1 N N N -1.523 149.711 483.755 1.863   -0.061 -0.106 C18 8CW 22  
8CW C19 C22 C  0 1 N N N -0.161 149.258 484.416 1.742   -0.884 1.150  C19 8CW 23  
8CW C20 C23 C  0 1 N N R 1.053  148.849 483.504 2.177   -2.326 1.158  C20 8CW 24  
8CW C21 C24 C  0 1 N N N 2.312  149.693 483.749 3.528   -2.452 0.500  C21 8CW 25  
8CW C25 C25 C  0 1 N N N 3.275  151.431 480.155 6.478   -2.476 1.520  C25 8CW 26  
8CW C26 C26 C  0 1 N N N 5.111  152.972 481.447 7.824   -3.549 -0.445 C26 8CW 27  
8CW C28 C27 C  0 1 N N N 0.097  146.731 483.362 1.040   -3.341 3.008  C28 8CW 28  
8CW C30 C28 C  0 1 N N S -3.073 151.458 483.819 1.700   2.303  -0.897 C30 8CW 29  
8CW C31 C29 C  0 1 N N N -4.561 151.492 484.073 0.851   3.575  -0.842 C31 8CW 30  
8CW C32 C30 C  0 1 N N N -2.473 152.901 484.040 3.124   2.634  -0.528 C32 8CW 31  
8CW C38 C31 C  0 1 N N N 0.728  156.330 483.380 7.012   1.275  -1.760 C38 8CW 32  
8CW C40 C32 C  0 1 Y N N 2.760  156.047 481.726 8.882   0.041  -0.986 C40 8CW 33  
8CW C41 C33 C  0 1 Y N N 2.881  156.549 480.442 10.211  -0.001 -0.589 C41 8CW 34  
8CW C53 C34 C  0 1 N N S -0.036 144.660 486.538 -8.784  2.356  0.891  C53 8CW 35  
8CW C55 C35 C  0 1 N N R 0.164  143.013 486.644 -9.796  1.352  0.294  C55 8CW 36  
8CW C57 C36 C  0 1 Y N N 0.164  140.403 488.751 -10.383 -1.521 -1.300 C57 8CW 37  
8CW C59 C37 C  0 1 Y N N 1.536  139.251 490.221 -12.006 -1.901 -2.882 C59 8CW 38  
8CW N01 N1  N  0 1 N N N -0.864 136.727 488.927 -11.629 -4.988 -1.119 N01 8CW 39  
8CW N04 N2  N  0 1 Y N N -1.511 139.521 487.582 -9.639  -3.022 0.157  N04 8CW 40  
8CW N06 N3  N  0 1 Y N N -0.427 141.367 487.997 -9.417  -0.955 -0.507 N06 8CW 41  
8CW N39 N4  N  0 1 N N N 1.977  156.751 482.729 8.323   1.251  -1.430 N39 8CW 42  
8CW N50 N5  N  0 1 N N N -4.144 149.739 487.570 -0.756  2.845  1.369  N50 8CW 43  
8CW N58 N6  N  0 1 Y N N 1.193  140.406 489.626 -11.142 -1.094 -2.305 N58 8CW 44  
8CW N60 N7  N  0 1 Y N N 0.887  138.110 490.000 -12.166 -3.157 -2.505 N60 8CW 45  
8CW O08 O2  O  0 1 N N N -1.044 143.786 488.449 -7.601  0.520  -0.027 O08 8CW 46  
8CW O11 O3  O  0 1 N N N -3.258 145.191 487.771 -5.061  1.714  0.755  O11 8CW 47  
8CW O13 O4  O  0 1 N N N -4.464 147.583 486.678 -2.456  1.410  0.565  O13 8CW 48  
8CW O15 O5  O  0 1 N N N -2.179 148.445 487.120 -0.856  0.581  2.047  O15 8CW 49  
8CW O16 O6  O  0 1 N N N -3.442 149.447 485.211 -0.256  1.099  -0.148 O16 8CW 50  
8CW O27 O7  O  0 1 N N N 1.303  147.483 483.645 2.259   -2.790 2.507  O27 8CW 51  
8CW O29 O8  O  0 1 N N N -0.120 149.195 485.627 1.293   -0.386 2.154  O29 8CW 52  
8CW O36 O9  O  0 1 N N N -1.641 155.444 484.632 5.777   2.465  0.127  O36 8CW 53  
8CW O44 O10 O  0 1 N N N 3.687  156.590 478.143 12.058  -1.240 0.252  O44 8CW 54  
8CW O49 O11 O  0 1 N N N 0.247  157.022 484.265 6.347   0.263  -1.693 O49 8CW 55  
8CW O51 O12 O  0 1 N N N -5.303 146.026 488.953 -3.706  0.701  2.767  O51 8CW 56  
8CW O52 O13 O  0 1 N N N -5.662 145.371 486.720 -3.470  3.128  2.112  O52 8CW 57  
8CW O54 O14 O  0 1 N N N 1.158  145.294 486.984 -9.100  3.688  0.481  O54 8CW 58  
8CW P12 P1  P  0 1 N N N -4.635 146.128 487.592 -3.669  1.768  1.562  P12 8CW 59  
8CW CL1 CL1 CL 0 0 N N N 1.911  158.032 480.105 11.185  1.435  -0.652 CL1 8CW 60  
8CW H1  H1  H  0 1 N N N 1.504  150.560 481.959 3.568   -4.508 0.773  H1  8CW 61  
8CW H3  H3  H  0 1 N N N 3.898  151.964 483.603 5.511   -4.467 -1.112 H3  8CW 62  
8CW H5  H5  H  0 1 N N N -2.363 152.174 481.401 3.753   1.519  -3.197 H5  8CW 63  
8CW H6  H6  H  0 1 N N N -2.518 153.873 480.840 2.593   2.862  -3.062 H6  8CW 64  
8CW H7  H7  H  0 1 N N N -1.925 155.825 482.603 5.556   4.166  -1.025 H7  8CW 65  
8CW H8  H8  H  0 1 N N N 0.483  154.157 483.457 5.812   2.396  -3.124 H8  8CW 66  
8CW H9  H9  H  0 1 N N N 0.155  154.879 481.846 7.161   3.306  -2.401 H9  8CW 67  
8CW H10 H10 H  0 1 N N N 4.439  156.570 476.207 13.603  -2.400 0.984  H10 8CW 68  
8CW H11 H11 H  0 1 N N N 5.569  156.009 477.486 11.977  -2.834 1.564  H11 8CW 69  
8CW H12 H12 H  0 1 N N N 4.207  154.960 476.967 12.465  -3.235 -0.101 H12 8CW 70  
8CW H13 H13 H  0 1 N N N 5.021  154.296 479.009 10.404  -3.267 0.258  H13 8CW 71  
8CW H14 H14 H  0 1 N N N 3.440  154.475 483.033 7.072   -1.075 -1.250 H14 8CW 72  
8CW H15 H15 H  0 1 N N N 1.517  141.638 486.263 -11.299 2.674  -0.011 H15 8CW 73  
8CW H16 H16 H  0 1 N N N -2.055 141.355 486.583 -8.234  -1.769 1.122  H16 8CW 74  
8CW H17 H17 H  0 1 N N N 0.977  142.894 488.497 -8.931  0.768  -1.620 H17 8CW 75  
8CW H18 H18 H  0 1 N N N -0.779 145.902 487.935 -7.198  2.491  -0.597 H18 8CW 76  
8CW H19 H19 H  0 1 N N N -2.401 145.913 486.051 -6.270  3.125  1.658  H19 8CW 77  
8CW H20 H20 H  0 1 N N N -2.563 144.127 486.158 -6.517  1.447  2.196  H20 8CW 78  
8CW H21 H21 H  0 1 N N N -1.901 150.879 485.562 1.298   1.626  1.108  H21 8CW 79  
8CW H22 H22 H  0 1 N N N -1.299 150.404 482.930 1.412   -0.600 -0.939 H22 8CW 80  
8CW H23 H23 H  0 1 N N N -2.033 148.821 483.358 2.916   0.122  -0.320 H23 8CW 81  
8CW H24 H24 H  0 1 N N N 0.740  149.041 482.467 1.450   -2.927 0.612  H24 8CW 82  
8CW H25 H25 H  0 1 N N N 3.037  149.613 484.546 4.020   -1.569 0.118  H25 8CW 83  
8CW H27 H27 H  0 1 N N N 2.465  150.730 480.404 5.453   -2.419 1.886  H27 8CW 84  
8CW H28 H28 H  0 1 N N N 2.864  152.277 479.585 7.110   -2.940 2.277  H28 8CW 85  
8CW H29 H29 H  0 1 N N N 4.034  150.914 479.549 6.844   -1.471 1.307  H29 8CW 86  
8CW H30 H30 H  0 1 N N N 5.854  152.702 480.682 8.376   -4.325 0.087  H30 8CW 87  
8CW H31 H31 H  0 1 N N N 5.608  153.064 482.424 7.623   -3.886 -1.462 H31 8CW 88  
8CW H32 H32 H  0 1 N N N 0.300  145.656 483.475 0.276   -2.564 3.042  H32 8CW 89  
8CW H33 H33 H  0 1 N N N -0.695 147.030 484.065 0.709   -4.147 2.353  H33 8CW 90  
8CW H34 H34 H  0 1 N N N -0.230 146.936 482.332 1.204   -3.734 4.012  H34 8CW 91  
8CW H35 H35 H  0 1 N N N -2.892 151.165 482.774 1.673   1.891  -1.906 H35 8CW 92  
8CW H36 H36 H  0 1 N N N -4.983 150.488 483.920 1.248   4.307  -1.545 H36 8CW 93  
8CW H37 H37 H  0 1 N N N -4.749 151.815 485.108 -0.178  3.336  -1.109 H37 8CW 94  
8CW H38 H38 H  0 1 N N N -5.036 152.199 483.377 0.879   3.987  0.166  H38 8CW 95  
8CW H39 H39 H  0 1 N N N -2.429 153.299 485.043 3.410   2.770  0.504  H39 8CW 96  
8CW H40 H40 H  0 1 N N N -0.279 144.921 485.497 -8.771  2.285  1.978  H40 8CW 97  
8CW H41 H41 H  0 1 N N N -0.634 142.544 486.050 -10.283 0.782  1.085  H41 8CW 98  
8CW H42 H42 H  0 1 N N N 2.371  139.248 490.906 -12.608 -1.522 -3.695 H42 8CW 99  
8CW H43 H43 H  0 1 N N N -0.441 136.010 489.481 -12.282 -5.544 -1.571 H43 8CW 100 
8CW H44 H44 H  0 1 N N N -1.825 136.825 489.185 -11.101 -5.353 -0.391 H44 8CW 101 
8CW H45 H45 H  0 1 N N N 2.336  157.640 483.014 8.866   2.052  -1.498 H45 8CW 102 
8CW H46 H46 H  0 1 N N N -4.180 149.345 488.489 0.192   2.904  1.711  H46 8CW 103 
8CW H47 H47 H  0 1 N N N -3.628 150.595 487.594 -0.908  3.497  0.614  H47 8CW 104 
8CW H49 H49 H  0 1 N N N -1.525 148.762 486.508 -1.052  -0.345 1.845  H49 8CW 105 
8CW H50 H50 H  0 1 N N N -1.018 156.113 484.890 6.681   2.635  0.423  H50 8CW 106 
8CW H51 H51 H  0 1 N N N -6.120 145.548 488.870 -3.833  -0.213 2.480  H51 8CW 107 
8CW H52 H52 H  0 1 N N N 1.056  146.237 486.928 -9.969  3.994  0.774  H52 8CW 108 
8CW H2  H2  H  0 1 N N N -0.892 153.169 481.133 4.273   3.184  -3.554 H2  8CW 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 
8CW C45 O44 SING N N 1   
8CW O44 C43 SING N N 2   
8CW C43 C46 DOUB Y N 3   
8CW C43 C41 SING Y N 4   
8CW C46 C47 SING Y N 5   
8CW CL1 C41 SING N N 6   
8CW C25 C24 SING N N 7   
8CW C41 C40 DOUB Y N 8   
8CW C47 C26 SING N N 9   
8CW C47 C48 DOUB Y N 10  
8CW C26 C24 SING N N 11  
8CW C34 C33 SING N N 12  
8CW C24 C23 DOUB N E 13  
8CW C40 C48 SING Y N 14  
8CW C40 N39 SING N N 15  
8CW C23 C22 SING N N 16  
8CW C22 C21 DOUB N E 17  
8CW N39 C38 SING N N 18  
8CW C37 C35 SING N N 19  
8CW C37 C38 SING N N 20  
8CW C33 C35 SING N N 21  
8CW C33 C32 DOUB N E 22  
8CW C35 O36 SING N N 23  
8CW C28 O27 SING N N 24  
8CW C38 O49 DOUB N N 25  
8CW C20 O27 SING N N 26  
8CW C20 C21 SING N N 27  
8CW C20 C19 SING N N 28  
8CW C18 C19 SING N N 29  
8CW C18 C17 SING N N 30  
8CW C30 C32 SING N N 31  
8CW C30 C31 SING N N 32  
8CW C30 C17 SING N N 33  
8CW C19 O29 DOUB N N 34  
8CW C17 O16 SING N N 35  
8CW O16 C14 SING N N 36  
8CW O56 C55 SING N N 37  
8CW C53 C55 SING N N 38  
8CW C53 O54 SING N N 39  
8CW C53 C09 SING N N 40  
8CW C55 C07 SING N N 41  
8CW C14 O13 SING N N 42  
8CW C14 O15 SING N N 43  
8CW C14 N50 SING N N 44  
8CW O13 P12 SING N N 45  
8CW O52 P12 DOUB N N 46  
8CW C10 C09 SING N N 47  
8CW C10 O11 SING N N 48  
8CW C05 N04 DOUB Y N 49  
8CW C05 N06 SING Y N 50  
8CW C09 O08 SING N N 51  
8CW N04 C03 SING Y N 52  
8CW P12 O11 SING N N 53  
8CW P12 O51 SING N N 54  
8CW C07 N06 SING N N 55  
8CW C07 O08 SING N N 56  
8CW N06 C57 SING Y N 57  
8CW C03 C57 DOUB Y N 58  
8CW C03 C02 SING Y N 59  
8CW C57 N58 SING Y N 60  
8CW N01 C02 SING N N 61  
8CW C02 N60 DOUB Y N 62  
8CW N58 C59 DOUB Y N 63  
8CW N60 C59 SING Y N 64  
8CW C22 H1  SING N N 65  
8CW C23 H3  SING N N 66  
8CW C34 H5  SING N N 67  
8CW C34 H6  SING N N 68  
8CW C35 H7  SING N N 69  
8CW C37 H8  SING N N 70  
8CW C37 H9  SING N N 71  
8CW C45 H10 SING N N 72  
8CW C45 H11 SING N N 73  
8CW C45 H12 SING N N 74  
8CW C46 H13 SING N N 75  
8CW C48 H14 SING N N 76  
8CW O56 H15 SING N N 77  
8CW C05 H16 SING N N 78  
8CW C07 H17 SING N N 79  
8CW C09 H18 SING N N 80  
8CW C10 H19 SING N N 81  
8CW C10 H20 SING N N 82  
8CW C17 H21 SING N N 83  
8CW C18 H22 SING N N 84  
8CW C18 H23 SING N N 85  
8CW C20 H24 SING N N 86  
8CW C21 H25 SING N N 87  
8CW C25 H27 SING N N 88  
8CW C25 H28 SING N N 89  
8CW C25 H29 SING N N 90  
8CW C26 H30 SING N N 91  
8CW C26 H31 SING N N 92  
8CW C28 H32 SING N N 93  
8CW C28 H33 SING N N 94  
8CW C28 H34 SING N N 95  
8CW C30 H35 SING N N 96  
8CW C31 H36 SING N N 97  
8CW C31 H37 SING N N 98  
8CW C31 H38 SING N N 99  
8CW C32 H39 SING N N 100 
8CW C53 H40 SING N N 101 
8CW C55 H41 SING N N 102 
8CW C59 H42 SING N N 103 
8CW N01 H43 SING N N 104 
8CW N01 H44 SING N N 105 
8CW N39 H45 SING N N 106 
8CW N50 H46 SING N N 107 
8CW N50 H47 SING N N 108 
8CW O15 H49 SING N N 109 
8CW O36 H50 SING N N 110 
8CW O51 H51 SING N N 111 
8CW O54 H52 SING N N 112 
8CW C34 H2  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 
8CW InChI            InChI                1.03  "InChI=1S/C37H49ClN7O14P/c1-18-7-6-8-25(54-4)24(47)13-26(20(3)10-19(2)23(46)14-29(48)44-22-11-21(9-18)12-27(55-5)30(22)38)58-37(40,51)59-60(52,53)56-15-28-32(49)33(50)36(57-28)45-17-43-31-34(39)41-16-42-35(31)45/h6-8,10-12,16-17,20,23,25-26,28,32-33,36,46,49-51H,9,13-15,40H2,1-5H3,(H,44,48)(H,52,53)(H2,39,41,42)/b8-6+,18-7+,19-10+/t20-,23-,25+,26-,28+,32+,33+,36+,37-/m0/s1" 
8CW InChIKey         InChI                1.03  QLSIIXOKLGYKPW-VYDMNOPCSA-N                                                                                                                                                                                                                                                                                                                                                              
8CW SMILES_CANONICAL CACTVS               3.385 "CO[C@@H]1/C=C/C=C(\C)Cc2cc(NC(=O)C[C@H](O)C(=C/[C@H](C)[C@H](CC1=O)O[C@](N)(O)O[P](O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n4cnc5c(N)ncnc45)/C)c(Cl)c(OC)c2"                                                                                                                                                                                                                              
8CW SMILES           CACTVS               3.385 "CO[CH]1C=CC=C(C)Cc2cc(NC(=O)C[CH](O)C(=C[CH](C)[CH](CC1=O)O[C](N)(O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)C)c(Cl)c(OC)c2"                                                                                                                                                                                                                                              
8CW SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "C[C@H]1/C=C(/[C@H](CC(=O)Nc2cc(cc(c2Cl)OC)C/C(=C/C=C/[C@H](C(=O)C[C@@H]1O[C@](N)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)OC)/C)O)\C"                                                                                                                                                                                                                               
8CW SMILES           "OpenEye OEToolkits" 2.0.7 "CC1C=C(C(CC(=O)Nc2cc(cc(c2Cl)OC)CC(=CC=CC(C(=O)CC1OC(N)(O)OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)OC)C)O)C"                                                                                                                                                                                                                                                                            
# 
_pdbx_chem_comp_identifier.comp_id           8CW 
_pdbx_chem_comp_identifier.type              "SYSTEMATIC NAME" 
_pdbx_chem_comp_identifier.program           "OpenEye OEToolkits" 
_pdbx_chem_comp_identifier.program_version   2.0.7 
_pdbx_chem_comp_identifier.identifier        "[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl [(~{S})-azanyl-[[(5~{S},6~{E},8~{S},9~{S},12~{R},13~{E},15~{E})-21-chloranyl-12,20-dimethoxy-6,8,16-trimethyl-5-oxidanyl-3,11-bis(oxidanylidene)-2-azabicyclo[16.3.1]docosa-1(21),6,13,15,18(22),19-hexaen-9-yl]oxy]-oxidanyl-methyl] hydrogen phosphate" 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
8CW "Create component" 2021-12-06 PDBJ 
8CW "Initial release"  2022-11-16 RCSB 
# 
