data_OZY
# 
_chem_comp.id                                    OZY 
_chem_comp.name                                  
"(1R,2R,3S,4R,6S)-4,6-diamino-2-[(3-O-{2-amino-2,6-dideoxy-6-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-alpha-D-glucopyranosyl}-beta-D-ribofuranosyl)oxy]-3-hydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside" 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C31 H56 N7 O18 P" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2018-02-06 
_chem_comp.pdbx_modified_date                    2018-02-16 
_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                        845.786 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     OZY 
_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        6CBM 
_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 
OZY O3P O1  O 0 1 N N N 22.071 17.743 9.580  4.338  2.059  3.985  O3P OZY 1   
OZY P1P P1  P 0 1 N N N 23.458 17.262 9.907  4.777  3.357  3.425  P1P OZY 2   
OZY O1P O2  O 0 1 N N N 24.195 18.341 10.676 4.119  4.557  4.272  O1P OZY 3   
OZY O2P O3  O 0 1 N N N 23.464 15.876 10.608 6.382  3.461  3.506  O2P OZY 4   
OZY O4P O4  O 0 1 N N N 24.226 17.026 8.503  4.309  3.465  1.888  O4P OZY 5   
OZY C5A C1  C 0 1 N N N 24.538 18.130 7.660  4.641  2.485  0.903  C5A OZY 6   
OZY C5P C2  C 0 1 Y N N 24.655 17.659 6.237  4.051  2.887  -0.424 C5P OZY 7   
OZY C6P C3  C 0 1 Y N N 25.896 17.602 5.631  3.318  4.054  -0.539 C6P OZY 8   
OZY N1P N1  N 0 1 Y N N 26.036 17.196 4.367  2.797  4.414  -1.695 N1P OZY 9   
OZY C4P C4  C 0 1 Y N N 23.564 17.210 5.524  4.241  2.094  -1.544 C4P OZY 10  
OZY CPP C5  C 0 1 Y N N 23.747 16.763 4.235  3.677  2.505  -2.748 CPP OZY 11  
OZY OPP O5  O 0 1 N N N 22.759 16.362 3.450  3.837  1.760  -3.874 OPP OZY 12  
OZY C2P C6  C 0 1 Y N N 25.008 16.778 3.651  2.950  3.686  -2.783 C2P OZY 13  
OZY C2A C7  C 0 1 N N N 25.159 16.300 2.227  2.333  4.144  -4.080 C2A OZY 14  
OZY C4A C8  C 0 1 N N N 22.216 17.196 6.101  5.039  0.819  -1.461 C4A OZY 15  
OZY N19 N2  N 0 1 N N N 21.288 17.136 5.287  4.143  -0.299 -1.133 N19 OZY 16  
OZY C23 C9  C 0 1 N N N 20.013 17.705 5.498  4.888  -1.561 -1.044 C23 OZY 17  
OZY C22 C10 C 0 1 N N R 19.427 18.142 4.174  3.924  -2.699 -0.701 C22 OZY 18  
OZY C21 C11 C 0 1 N N S 19.092 16.995 3.212  4.716  -3.992 -0.486 C21 OZY 19  
OZY O21 O6  O 0 1 N N N 18.203 16.101 3.909  5.599  -3.831 0.626  O21 OZY 20  
OZY O22 O7  O 0 1 N N N 20.321 19.109 3.568  3.000  -2.881 -1.776 O22 OZY 21  
OZY C18 C12 C 0 1 N N R 19.657 19.841 2.530  2.034  -3.908 -1.547 C18 OZY 22  
OZY C19 C13 C 0 1 N N R 19.122 18.891 1.436  2.749  -5.249 -1.366 C19 OZY 23  
OZY N23 N3  N 0 1 N N N 18.235 19.639 0.520  1.762  -6.297 -1.071 N23 OZY 24  
OZY C20 C14 C 0 1 N N R 18.397 17.638 1.989  3.740  -5.138 -0.203 C20 OZY 25  
OZY O20 O8  O 0 1 N N N 18.198 16.724 0.885  4.465  -6.362 -0.073 O20 OZY 26  
OZY O18 O9  O 0 1 N N N 18.559 20.590 3.100  1.285  -3.604 -0.368 O18 OZY 27  
OZY C15 C15 C 0 1 N N S 18.930 21.903 3.527  0.403  -2.489 -0.511 C15 OZY 28  
OZY C14 C16 C 0 1 N N R 18.858 22.875 2.339  -1.020 -2.969 -0.874 C14 OZY 29  
OZY O14 O10 O 0 1 N N N 18.854 22.266 1.015  -1.060 -4.394 -0.966 O14 OZY 30  
OZY C16 C17 C 0 1 N N R 17.893 22.399 4.563  0.222  -1.766 0.841  C16 OZY 31  
OZY C17 C18 C 0 1 N N N 18.436 22.697 5.969  1.133  -0.539 0.916  C17 OZY 32  
OZY O17 O11 O 0 1 N N N 17.801 21.828 6.915  1.037  0.048  2.215  O17 OZY 33  
OZY O16 O12 O 0 1 N N N 17.267 23.573 4.022  -1.165 -1.363 0.862  O16 OZY 34  
OZY C13 C19 C 0 1 N N S 17.500 23.572 2.608  -1.893 -2.478 0.302  C13 OZY 35  
OZY O11 O13 O 0 1 N N N 17.504 24.933 2.177  -3.172 -2.050 -0.172 O11 OZY 36  
OZY C11 C20 C 0 1 N N R 16.185 25.460 1.939  -4.084 -1.685 0.866  C11 OZY 37  
OZY C12 C21 C 0 1 N N S 15.924 25.488 0.424  -4.887 -2.914 1.295  C12 OZY 38  
OZY O12 O14 O 0 1 N N N 15.879 24.126 -0.095 -3.995 -3.921 1.777  O12 OZY 39  
OZY C10 C22 C 0 1 N N R 16.154 26.849 2.580  -5.039 -0.607 0.349  C10 OZY 40  
OZY C9  C23 C 0 1 N N S 14.872 27.593 2.206  -6.016 -0.216 1.460  C9  OZY 41  
OZY N9  N4  N 0 1 N N N 14.941 28.930 2.815  -6.933 0.819  0.964  N9  OZY 42  
OZY C8  C24 C 0 1 N N N 14.678 27.699 0.703  -6.819 -1.446 1.889  C8  OZY 43  
OZY C7  C25 C 0 1 N N R 14.666 26.302 0.074  -5.863 -2.524 2.406  C7  OZY 44  
OZY N7  N5  N 0 1 N N N 14.571 26.478 -1.395 -6.634 -3.704 2.818  N7  OZY 45  
OZY O1  O15 O 0 1 N N N 16.109 26.778 4.013  -4.289 0.542  -0.051 O1  OZY 46  
OZY C1  C26 C 0 1 N N R 17.221 26.318 4.776  -4.517 0.942  -1.404 C1  OZY 47  
OZY O5  O16 O 0 1 N N N 18.412 27.016 4.420  -5.635 1.829  -1.457 O5  OZY 48  
OZY C5  C27 C 0 1 N N R 18.324 28.427 4.620  -5.481 3.010  -0.668 C5  OZY 49  
OZY C6  C28 C 0 1 N N N 19.655 28.970 4.086  -6.743 3.867  -0.778 C6  OZY 50  
OZY N6  N6  N 0 1 N N N 20.039 30.194 4.803  -7.906 3.084  -0.339 N6  OZY 51  
OZY C4  C29 C 0 1 N N S 17.975 28.718 6.100  -4.276 3.808  -1.175 C4  OZY 52  
OZY O4  O17 O 0 1 N N N 17.839 30.123 6.347  -4.085 4.959  -0.351 O4  OZY 53  
OZY C3  C30 C 0 1 N N R 16.669 28.019 6.489  -3.027 2.924  -1.118 C3  OZY 54  
OZY O3  O18 O 0 1 N N N 16.248 28.256 7.840  -1.912 3.635  -1.658 O3  OZY 55  
OZY C2  C31 C 0 1 N N R 16.878 26.530 6.250  -3.274 1.656  -1.941 C2  OZY 56  
OZY N2  N7  N 0 1 N N N 15.660 25.783 6.598  -2.110 0.766  -1.833 N2  OZY 57  
OZY H1  H1  H 0 1 N N N 23.627 19.094 10.790 4.358  4.555  5.209  H1  OZY 58  
OZY H2  H2  H 0 1 N N N 22.571 15.568 10.710 6.741  4.288  3.155  H2  OZY 59  
OZY H3  H3  H 0 1 N N N 25.492 18.576 7.978  5.725  2.413  0.812  H3  OZY 60  
OZY H4  H4  H 0 1 N N N 23.740 18.883 7.732  4.237  1.518  1.202  H4  OZY 61  
OZY H5  H5  H 0 1 N N N 26.772 17.892 6.192  3.170  4.678  0.330  H5  OZY 62  
OZY H6  H6  H 0 1 N N N 21.941 16.385 3.933  3.146  1.097  -4.008 H6  OZY 63  
OZY H7  H7  H 0 1 N N N 26.216 16.365 1.928  1.327  3.733  -4.169 H7  OZY 64  
OZY H8  H8  H 0 1 N N N 24.820 15.256 2.153  2.283  5.232  -4.094 H8  OZY 65  
OZY H9  H9  H 0 1 N N N 24.551 16.931 1.562  2.942  3.797  -4.915 H9  OZY 66  
OZY H10 H10 H 0 1 N N N 22.090 18.116 6.690  5.521  0.628  -2.420 H10 OZY 67  
OZY H11 H11 H 0 1 N N N 22.141 16.322 6.765  5.798  0.915  -0.686 H11 OZY 68  
OZY H12 H12 H 0 1 N N N 21.127 16.161 5.131  3.392  -0.369 -1.803 H12 OZY 69  
OZY H14 H14 H 0 1 N N N 20.107 18.577 6.162  5.369  -1.768 -2.000 H14 OZY 70  
OZY H15 H15 H 0 1 N N N 19.352 16.959 5.963  5.647  -1.481 -0.265 H15 OZY 71  
OZY H16 H16 H 0 1 N N N 18.480 18.655 4.396  3.378  -2.451 0.209  H16 OZY 72  
OZY H17 H17 H 0 1 N N N 20.013 16.484 2.896  5.295  -4.218 -1.381 H17 OZY 73  
OZY H18 H18 H 0 1 N N N 18.655 15.721 4.654  6.133  -4.614 0.820  H18 OZY 74  
OZY H19 H19 H 0 1 N N N 20.367 20.537 2.060  1.358  -3.969 -2.401 H19 OZY 75  
OZY H20 H20 H 0 1 N N N 19.989 18.537 0.858  3.287  -5.502 -2.280 H20 OZY 76  
OZY H21 H21 H 0 1 N N N 18.716 20.443 0.172  1.097  -6.389 -1.825 H21 OZY 77  
OZY H22 H22 H 0 1 N N N 17.973 19.050 -0.245 2.215  -7.177 -0.879 H22 OZY 78  
OZY H24 H24 H 0 1 N N N 17.407 17.973 2.330  3.197  -4.935 0.720  H24 OZY 79  
OZY H25 H25 H 0 1 N N N 17.754 15.944 1.195  5.111  -6.362 0.646  H25 OZY 80  
OZY H26 H26 H 0 1 N N N 19.938 21.918 3.967  0.780  -1.799 -1.266 H26 OZY 81  
OZY H27 H27 H 0 1 N N N 19.668 23.614 2.421  -1.349 -2.515 -1.809 H27 OZY 82  
OZY H28 H28 H 0 1 N N N 19.689 21.841 0.859  -1.943 -4.753 -1.133 H28 OZY 83  
OZY H29 H29 H 0 1 N N N 17.132 21.611 4.665  0.433  -2.445 1.667  H29 OZY 84  
OZY H30 H30 H 0 1 N N N 19.523 22.528 5.987  2.164  -0.841 0.729  H30 OZY 85  
OZY H31 H31 H 0 1 N N N 18.223 23.744 6.231  0.826  0.188  0.165  H31 OZY 86  
OZY H32 H32 H 0 1 N N N 18.134 22.009 7.786  1.590  0.832  2.334  H32 OZY 87  
OZY H33 H33 H 0 1 N N N 16.708 23.010 2.092  -2.008 -3.267 1.045  H33 OZY 88  
OZY H34 H34 H 0 1 N N N 15.427 24.825 2.421  -3.527 -1.298 1.719  H34 OZY 89  
OZY H35 H35 H 0 1 N N N 16.779 26.001 -0.041 -5.443 -3.301 0.441  H35 OZY 90  
OZY H36 H36 H 0 1 N N N 16.675 23.668 0.147  -4.436 -4.731 2.067  H36 OZY 91  
OZY H37 H37 H 0 1 N N N 17.027 27.428 2.244  -5.595 -0.993 -0.504 H37 OZY 92  
OZY H38 H38 H 0 1 N N N 14.017 27.047 2.631  -5.459 0.170  2.314  H38 OZY 93  
OZY H39 H39 H 0 1 N N N 15.069 28.841 3.803  -7.574 1.110  1.687  H39 OZY 94  
OZY H40 H40 H 0 1 N N N 15.710 29.435 2.424  -6.423 1.607  0.594  H40 OZY 95  
OZY H42 H42 H 0 1 N N N 15.502 28.286 0.270  -7.514 -1.168 2.681  H42 OZY 96  
OZY H43 H43 H 0 1 N N N 13.721 28.200 0.494  -7.375 -1.832 1.035  H43 OZY 97  
OZY H44 H44 H 0 1 N N N 13.781 25.758 0.436  -5.307 -2.137 3.259  H44 OZY 98  
OZY H45 H45 H 0 1 N N N 13.752 27.007 -1.615 -7.287 -3.472 3.551  H45 OZY 99  
OZY H46 H46 H 0 1 N N N 15.380 26.963 -1.725 -7.108 -4.120 2.030  H46 OZY 100 
OZY H48 H48 H 0 1 N N N 17.362 25.240 4.608  -4.722 0.061  -2.014 H48 OZY 101 
OZY H49 H49 H 0 1 N N N 17.515 28.835 3.996  -5.320 2.732  0.374  H49 OZY 102 
OZY H50 H50 H 0 1 N N N 20.437 28.209 4.224  -6.640 4.750  -0.147 H50 OZY 103 
OZY H51 H51 H 0 1 N N N 19.549 29.197 3.015  -6.884 4.175  -1.814 H51 OZY 104 
OZY H52 H52 H 0 1 N N N 20.908 30.534 4.442  -8.752 3.631  -0.394 H52 OZY 105 
OZY H53 H53 H 0 1 N N N 19.332 30.890 4.678  -7.991 2.232  -0.872 H53 OZY 106 
OZY H55 H55 H 0 1 N N N 18.783 28.311 6.726  -4.455 4.122  -2.204 H55 OZY 107 
OZY H56 H56 H 0 1 N N N 17.625 30.265 7.262  -3.337 5.512  -0.615 H56 OZY 108 
OZY H57 H57 H 0 1 N N N 15.883 28.366 5.801  -2.819 2.652  -0.082 H57 OZY 109 
OZY H58 H58 H 0 1 N N N 15.436 27.792 8.005  -1.703 4.454  -1.188 H58 OZY 110 
OZY H59 H59 H 0 1 N N N 17.719 26.181 6.868  -3.431 1.925  -2.986 H59 OZY 111 
OZY H60 H60 H 0 1 N N N 15.444 25.928 7.564  -2.252 -0.080 -2.364 H60 OZY 112 
OZY H61 H61 H 0 1 N N N 14.899 26.105 6.034  -1.266 1.237  -2.121 H61 OZY 113 
# 
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 
OZY N7  C7  SING N N 1   
OZY O12 C12 SING N N 2   
OZY C7  C12 SING N N 3   
OZY C7  C8  SING N N 4   
OZY C12 C11 SING N N 5   
OZY N23 C19 SING N N 6   
OZY C8  C9  SING N N 7   
OZY O20 C20 SING N N 8   
OZY O14 C14 SING N N 9   
OZY C19 C20 SING N N 10  
OZY C19 C18 SING N N 11  
OZY C11 O11 SING N N 12  
OZY C11 C10 SING N N 13  
OZY C20 C21 SING N N 14  
OZY O11 C13 SING N N 15  
OZY C9  C10 SING N N 16  
OZY C9  N9  SING N N 17  
OZY C2A C2P SING N N 18  
OZY C14 C13 SING N N 19  
OZY C14 C15 SING N N 20  
OZY C18 O18 SING N N 21  
OZY C18 O22 SING N N 22  
OZY C10 O1  SING N N 23  
OZY C13 O16 SING N N 24  
OZY O18 C15 SING N N 25  
OZY C21 O21 SING N N 26  
OZY C21 C22 SING N N 27  
OZY OPP CPP SING N N 28  
OZY C15 C16 SING N N 29  
OZY O22 C22 SING N N 30  
OZY C2P CPP DOUB Y N 31  
OZY C2P N1P SING Y N 32  
OZY O1  C1  SING N N 33  
OZY O16 C16 SING N N 34  
OZY C6  C5  SING N N 35  
OZY C6  N6  SING N N 36  
OZY C22 C23 SING N N 37  
OZY CPP C4P SING Y N 38  
OZY N1P C6P DOUB Y N 39  
OZY O5  C5  SING N N 40  
OZY O5  C1  SING N N 41  
OZY C16 C17 SING N N 42  
OZY C5  C4  SING N N 43  
OZY C1  C2  SING N N 44  
OZY N19 C23 SING N N 45  
OZY N19 C4A SING N N 46  
OZY C4P C4A SING N N 47  
OZY C4P C5P DOUB Y N 48  
OZY C6P C5P SING Y N 49  
OZY C17 O17 SING N N 50  
OZY C4  O4  SING N N 51  
OZY C4  C3  SING N N 52  
OZY C5P C5A SING N N 53  
OZY C2  C3  SING N N 54  
OZY C2  N2  SING N N 55  
OZY C3  O3  SING N N 56  
OZY C5A O4P SING N N 57  
OZY O4P P1P SING N N 58  
OZY O3P P1P DOUB N N 59  
OZY P1P O2P SING N N 60  
OZY P1P O1P SING N N 61  
OZY O1P H1  SING N N 62  
OZY O2P H2  SING N N 63  
OZY C5A H3  SING N N 64  
OZY C5A H4  SING N N 65  
OZY C6P H5  SING N N 66  
OZY OPP H6  SING N N 67  
OZY C2A H7  SING N N 68  
OZY C2A H8  SING N N 69  
OZY C2A H9  SING N N 70  
OZY C4A H10 SING N N 71  
OZY C4A H11 SING N N 72  
OZY N19 H12 SING N N 73  
OZY C23 H14 SING N N 74  
OZY C23 H15 SING N N 75  
OZY C22 H16 SING N N 76  
OZY C21 H17 SING N N 77  
OZY O21 H18 SING N N 78  
OZY C18 H19 SING N N 79  
OZY C19 H20 SING N N 80  
OZY N23 H21 SING N N 81  
OZY N23 H22 SING N N 82  
OZY C20 H24 SING N N 83  
OZY O20 H25 SING N N 84  
OZY C15 H26 SING N N 85  
OZY C14 H27 SING N N 86  
OZY O14 H28 SING N N 87  
OZY C16 H29 SING N N 88  
OZY C17 H30 SING N N 89  
OZY C17 H31 SING N N 90  
OZY O17 H32 SING N N 91  
OZY C13 H33 SING N N 92  
OZY C11 H34 SING N N 93  
OZY C12 H35 SING N N 94  
OZY O12 H36 SING N N 95  
OZY C10 H37 SING N N 96  
OZY C9  H38 SING N N 97  
OZY N9  H39 SING N N 98  
OZY N9  H40 SING N N 99  
OZY C8  H42 SING N N 100 
OZY C8  H43 SING N N 101 
OZY C7  H44 SING N N 102 
OZY N7  H45 SING N N 103 
OZY N7  H46 SING N N 104 
OZY C1  H48 SING N N 105 
OZY C5  H49 SING N N 106 
OZY C6  H50 SING N N 107 
OZY C6  H51 SING N N 108 
OZY N6  H52 SING N N 109 
OZY N6  H53 SING N N 110 
OZY C4  H55 SING N N 111 
OZY O4  H56 SING N N 112 
OZY C3  H57 SING N N 113 
OZY O3  H58 SING N N 114 
OZY C2  H59 SING N N 115 
OZY N2  H60 SING N N 116 
OZY N2  H61 SING N N 117 
# 
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 
OZY SMILES           ACDLabs              12.01 "O=P(O)(O)OCc1cnc(c(c1CNCC2C(O)C(C(C(O2)OC3C(CO)OC(C3O)OC5C(OC4C(C(C(C(O4)CN)O)O)N)C(N)CC(C5O)N)N)O)O)C" 
OZY InChI            InChI                1.03  
;InChI=1S/C31H56N7O18P/c1-9-19(40)11(10(4-38-9)8-50-57(47,48)49)5-37-6-15-22(43)24(45)18(36)30(52-15)55-27-16(7-39)53-31(25(27)46)56-28-20(41)12(33)2-13(34)26(28)54-29-17(35)23(44)21(42)14(3-32)51-29/h4,12-18,20-31,37,39-46H,2-3,5-8,32-36H2,1H3,(H2,47,48,49)/t12-,13+,14-,15-,16-,17-,18-,20+,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31+/m1/s1
;
OZY InChIKey         InChI                1.03  XKWYFXMYGMVOPV-AWIIFLAXSA-N 
OZY SMILES_CANONICAL CACTVS               3.385 "Cc1ncc(CO[P](O)(O)=O)c(CNC[C@H]2O[C@H](O[C@H]3[C@@H](O)[C@@H](O[C@@H]3CO)O[C@@H]4[C@@H](O)[C@H](N)C[C@H](N)[C@H]4O[C@H]5O[C@H](CN)[C@@H](O)[C@H](O)[C@H]5N)[C@H](N)[C@@H](O)[C@@H]2O)c1O" 
OZY SMILES           CACTVS               3.385 "Cc1ncc(CO[P](O)(O)=O)c(CNC[CH]2O[CH](O[CH]3[CH](O)[CH](O[CH]3CO)O[CH]4[CH](O)[CH](N)C[CH](N)[CH]4O[CH]5O[CH](CN)[CH](O)[CH](O)[CH]5N)[CH](N)[CH](O)[CH]2O)c1O" 
OZY SMILES_CANONICAL "OpenEye OEToolkits" 2.0.6 "Cc1c(c(c(cn1)COP(=O)(O)O)CNC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@@H]3[C@H](O[C@H]([C@@H]3O)O[C@@H]4[C@H]([C@@H](C[C@@H]([C@H]4O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CN)O)O)N)N)N)O)CO)N)O)O)O" 
OZY SMILES           "OpenEye OEToolkits" 2.0.6 "Cc1c(c(c(cn1)COP(=O)(O)O)CNCC2C(C(C(C(O2)OC3C(OC(C3O)OC4C(C(CC(C4OC5C(C(C(C(O5)CN)O)O)N)N)N)O)CO)N)O)O)O" 
# 
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 
OZY "SYSTEMATIC NAME" ACDLabs              12.01 
"(1R,2R,3S,4R,6S)-4,6-diamino-2-[(3-O-{2-amino-2,6-dideoxy-6-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-alpha-D-glucopyranosyl}-beta-D-ribofuranosyl)oxy]-3-hydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside" 
OZY "SYSTEMATIC NAME" "OpenEye OEToolkits" 2.0.6 
;[4-[[[(2~{R},3~{S},4~{R},5~{R},6~{R})-6-[(2~{R},3~{S},4~{R},5~{S})-5-[(1~{R},2~{R},3~{S},5~{R},6~{S})-2-[(2~{R},3~{R},4~{R},5~{S},6~{R})-6-(aminomethyl)-3-azanyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-3,5-bis(azanyl)-6-oxidanyl-cyclohexyl]oxy-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]oxy-5-azanyl-3,4-bis(oxidanyl)oxan-2-yl]methylamino]methyl]-6-methyl-5-oxidanyl-pyridin-3-yl]methyl dihydrogen 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 
OZY "Create component" 2018-02-06 RCSB 
OZY "Initial release"  2018-02-21 RCSB 
# 
