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 #