data_2QX # _chem_comp.id 2QX _chem_comp.name "methyl [(2S)-2-(5-{5-[4-({(2S)-2-[(3S)-3-amino-2-oxopiperidin-1-yl]-2-cyclohexylacetyl}amino)phenyl]pentyl}-2-fluorophenyl)-3-(quinolin-3-yl)propyl]carbamate" _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "C44 H54 F N5 O4" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms ? _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2014-04-30 _chem_comp.pdbx_modified_date 2015-06-12 _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 735.929 _chem_comp.one_letter_code ? _chem_comp.three_letter_code 2QX _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 4PFC _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 2QX O1 O1 O 0 1 N N N -9.918 -44.498 67.151 -7.327 -1.530 0.832 O1 2QX 1 2QX C7 C1 C 0 1 Y N N -4.674 -33.965 76.936 8.284 -0.682 -0.541 C7 2QX 2 2QX O2 O2 O 0 1 N N N -1.777 -38.290 77.438 3.496 -4.726 0.115 O2 2QX 3 2QX C6 C2 C 0 1 Y N N -5.872 -34.683 77.391 9.437 -1.245 -0.000 C6 2QX 4 2QX C1 C3 C 0 1 Y N N -6.771 -31.418 80.750 11.750 2.843 -0.201 C1 2QX 5 2QX N1 N1 N 0 1 N N N -7.401 -45.936 69.734 -6.612 2.022 -0.655 N1 2QX 6 2QX C5 C4 C 0 1 Y N N -6.285 -33.081 79.066 10.567 0.765 -0.101 C5 2QX 7 2QX C4 C5 C 0 1 Y N N -5.099 -32.334 78.701 9.428 1.401 -0.655 C4 2QX 8 2QX C3 C6 C 0 1 Y N N -4.775 -31.110 79.396 9.482 2.768 -0.973 C3 2QX 9 2QX C2 C7 C 0 1 Y N N -5.606 -30.667 80.394 10.628 3.466 -0.746 C2 2QX 10 2QX C42 C8 C 0 1 N N N -0.957 -37.962 76.603 4.687 -4.926 -0.018 C42 2QX 11 2QX O3 O3 O 0 1 N N N -0.046 -38.950 76.231 5.137 -6.169 -0.272 O3 2QX 12 2QX C43 C9 C 0 1 N N N -0.002 -40.277 76.776 4.143 -7.222 -0.373 C43 2QX 13 2QX N4 N2 N 0 1 N N N -0.920 -36.681 76.016 5.557 -3.902 0.088 N4 2QX 14 2QX C41 C10 C 0 1 N N N -1.874 -35.657 76.418 5.068 -2.550 0.364 C41 2QX 15 2QX C10 C11 C 0 1 N N S -3.270 -35.731 75.721 6.256 -1.605 0.549 C10 2QX 16 2QX C9 C12 C 0 1 N N N -3.965 -34.365 75.670 7.057 -1.532 -0.753 C9 2QX 17 2QX C8 C13 C 0 1 Y N N -4.294 -32.822 77.611 8.263 0.643 -0.874 C8 2QX 18 2QX N N3 N 0 1 Y N N -6.666 -34.270 78.412 10.521 -0.535 0.203 N 2QX 19 2QX C C14 C 0 1 Y N N -7.120 -32.589 80.118 11.732 1.521 0.119 C 2QX 20 2QX C11 C15 C 0 1 Y N N -3.175 -36.490 74.417 5.754 -0.229 0.907 C11 2QX 21 2QX C16 C16 C 0 1 Y N N -3.619 -37.817 74.373 4.920 0.449 0.039 C16 2QX 22 2QX C15 C17 C 0 1 Y N N -3.391 -38.603 73.242 4.459 1.710 0.367 C15 2QX 23 2QX C14 C18 C 0 1 Y N N -2.794 -38.052 72.079 4.832 2.294 1.564 C14 2QX 24 2QX C13 C19 C 0 1 Y N N -2.356 -36.719 72.053 5.666 1.618 2.433 C13 2QX 25 2QX C12 C20 C 0 1 Y N N -2.525 -35.941 73.222 6.124 0.352 2.108 C12 2QX 26 2QX F F1 F 0 1 N N N -2.007 -34.700 73.182 6.939 -0.311 2.957 F 2QX 27 2QX C17 C21 C 0 1 N N N -3.625 -40.070 73.338 3.549 2.450 -0.580 C17 2QX 28 2QX C18 C22 C 0 1 N N N -2.345 -40.800 73.706 2.092 2.112 -0.257 C18 2QX 29 2QX C19 C23 C 0 1 N N N -2.538 -42.205 74.232 1.169 2.862 -1.218 C19 2QX 30 2QX C20 C24 C 0 1 N N N -2.685 -43.268 73.174 -0.288 2.525 -0.895 C20 2QX 31 2QX C21 C25 C 0 1 N N N -3.494 -44.477 73.619 -1.211 3.275 -1.856 C21 2QX 32 2QX C22 C26 C 0 1 Y N N -4.499 -44.879 72.606 -2.646 2.942 -1.537 C22 2QX 33 2QX C27 C27 C 0 1 Y N N -5.857 -44.794 72.881 -3.347 3.713 -0.628 C27 2QX 34 2QX C26 C28 C 0 1 Y N N -6.812 -45.117 71.892 -4.662 3.411 -0.334 C26 2QX 35 2QX C25 C29 C 0 1 Y N N -6.393 -45.535 70.611 -5.280 2.331 -0.951 C25 2QX 36 2QX C24 C30 C 0 1 Y N N -5.004 -45.625 70.315 -4.573 1.559 -1.864 C24 2QX 37 2QX C23 C31 C 0 1 Y N N -4.082 -45.308 71.315 -3.260 1.870 -2.159 C23 2QX 38 2QX C28 C32 C 0 1 N N N -7.289 -46.416 68.424 -7.022 0.738 -0.657 C28 2QX 39 2QX O O4 O 0 1 N N N -6.228 -46.447 67.782 -6.218 -0.155 -0.816 O 2QX 40 2QX C29 C33 C 0 1 N N S -8.590 -46.934 67.729 -8.481 0.413 -0.462 C29 2QX 41 2QX C30 C34 C 0 1 N N N -8.607 -48.479 67.784 -8.874 0.685 0.992 C30 2QX 42 2QX C35 C35 C 0 1 N N N -9.806 -49.068 67.037 -10.339 0.299 1.204 C35 2QX 43 2QX C34 C36 C 0 1 N N N -9.764 -50.595 67.051 -10.732 0.571 2.658 C34 2QX 44 2QX C33 C37 C 0 1 N N N -9.740 -51.132 68.482 -10.547 2.058 2.966 C33 2QX 45 2QX C32 C38 C 0 1 N N N -8.598 -50.519 69.293 -9.082 2.444 2.753 C32 2QX 46 2QX C31 C39 C 0 1 N N N -8.614 -48.992 69.229 -8.688 2.172 1.300 C31 2QX 47 2QX N2 N4 N 0 1 N N N -8.670 -46.286 66.378 -8.712 -1.000 -0.774 N2 2QX 48 2QX C40 C40 C 0 1 N N N -7.914 -46.746 65.201 -9.647 -1.319 -1.846 C40 2QX 49 2QX C39 C41 C 0 1 N N N -7.328 -45.578 64.383 -9.420 -2.745 -2.347 C39 2QX 50 2QX C38 C42 C 0 1 N N N -8.376 -44.490 64.100 -9.405 -3.693 -1.142 C38 2QX 51 2QX C37 C43 C 0 1 N N S -9.727 -44.804 64.744 -8.159 -3.391 -0.305 C37 2QX 52 2QX N3 N5 N 0 1 N N N -10.647 -43.667 64.667 -8.254 -4.094 0.982 N3 2QX 53 2QX C36 C44 C 0 1 N N N -9.501 -45.184 66.219 -8.050 -1.913 -0.063 C36 2QX 54 2QX H1 H1 H 0 1 N N N -6.138 -35.597 76.881 9.439 -2.293 0.259 H1 2QX 55 2QX H2 H2 H 0 1 N N N -7.401 -31.051 81.546 12.647 3.420 -0.031 H2 2QX 56 2QX H3 H3 H 0 1 N N N -8.333 -45.872 70.091 -7.240 2.731 -0.447 H3 2QX 57 2QX H4 H4 H 0 1 N N N -3.889 -30.550 79.133 8.620 3.261 -1.396 H4 2QX 58 2QX H5 H5 H 0 1 N N N -5.380 -29.747 80.913 10.669 4.518 -0.991 H5 2QX 59 2QX H6 H6 H 0 1 N N N 0.814 -40.842 76.302 3.449 -6.991 -1.182 H6 2QX 60 2QX H7 H7 H 0 1 N N N 0.172 -40.222 77.861 4.638 -8.171 -0.580 H7 2QX 61 2QX H8 H8 H 0 1 N N N -0.959 -40.784 76.583 3.594 -7.295 0.566 H8 2QX 62 2QX H9 H9 H 0 1 N N N -0.234 -36.474 75.319 6.508 -4.062 -0.019 H9 2QX 63 2QX H10 H10 H 0 1 N N N -1.433 -34.675 76.192 4.457 -2.207 -0.471 H10 2QX 64 2QX H11 H11 H 0 1 N N N -2.031 -35.747 77.503 4.466 -2.559 1.273 H11 2QX 65 2QX H12 H12 H 0 1 N N N -3.891 -36.352 76.383 6.896 -1.977 1.349 H12 2QX 66 2QX H13 H13 H 0 1 N N N -3.203 -33.603 75.450 6.440 -1.091 -1.535 H13 2QX 67 2QX H14 H14 H 0 1 N N N -4.706 -34.389 74.857 7.359 -2.537 -1.050 H14 2QX 68 2QX H15 H15 H 0 1 N N N -3.396 -32.296 77.323 7.377 1.095 -1.295 H15 2QX 69 2QX H16 H16 H 0 1 N N N -8.009 -33.128 80.411 12.610 1.054 0.540 H16 2QX 70 2QX H17 H17 H 0 1 N N N -4.142 -38.236 75.220 4.629 -0.005 -0.896 H17 2QX 71 2QX H18 H18 H 0 1 N N N -2.675 -38.668 71.200 4.471 3.280 1.819 H18 2QX 72 2QX H19 H19 H 0 1 N N N -1.903 -36.300 71.167 5.957 2.074 3.367 H19 2QX 73 2QX H20 H20 H 0 1 N N N -4.385 -40.264 74.110 3.706 3.523 -0.472 H20 2QX 74 2QX H21 H21 H 0 1 N N N -3.985 -40.442 72.367 3.772 2.152 -1.605 H21 2QX 75 2QX H22 H22 H 0 1 N N N -1.714 -40.856 72.807 1.936 1.039 -0.365 H22 2QX 76 2QX H23 H23 H 0 1 N N N -1.829 -40.214 74.480 1.870 2.410 0.768 H23 2QX 77 2QX H24 H24 H 0 1 N N N -3.446 -42.215 74.854 1.326 3.935 -1.110 H24 2QX 78 2QX H25 H25 H 0 1 N N N -1.666 -42.460 74.852 1.392 2.564 -2.243 H25 2QX 79 2QX H26 H26 H 0 1 N N N -1.680 -43.611 72.887 -0.445 1.451 -1.003 H26 2QX 80 2QX H27 H27 H 0 1 N N N -3.183 -42.821 72.301 -0.511 2.822 0.130 H27 2QX 81 2QX H28 H28 H 0 1 N N N -4.014 -44.230 74.556 -1.054 4.348 -1.748 H28 2QX 82 2QX H29 H29 H 0 1 N N N -2.808 -45.319 73.791 -0.988 2.977 -2.881 H29 2QX 83 2QX H30 H30 H 0 1 N N N -6.186 -44.478 73.860 -2.866 4.552 -0.148 H30 2QX 84 2QX H31 H31 H 0 1 N N N -7.866 -45.044 72.117 -5.209 4.013 0.377 H31 2QX 85 2QX H32 H32 H 0 1 N N N -4.669 -45.933 69.335 -5.051 0.719 -2.346 H32 2QX 86 2QX H33 H33 H 0 1 N N N -3.026 -45.391 71.103 -2.710 1.271 -2.869 H33 2QX 87 2QX H34 H34 H 0 1 N N N -9.441 -46.575 68.326 -9.083 1.034 -1.124 H34 2QX 88 2QX H35 H35 H 0 1 N N N -7.690 -48.844 67.298 -8.242 0.094 1.655 H35 2QX 89 2QX H36 H36 H 0 1 N N N -9.788 -48.717 65.995 -10.970 0.889 0.540 H36 2QX 90 2QX H37 H37 H 0 1 N N N -10.733 -48.729 67.522 -10.471 -0.761 0.984 H37 2QX 91 2QX H38 H38 H 0 1 N N N -10.655 -50.984 66.536 -11.776 0.296 2.809 H38 2QX 92 2QX H39 H39 H 0 1 N N N -8.860 -50.934 66.525 -10.101 -0.020 3.322 H39 2QX 93 2QX H40 H40 H 0 1 N N N -10.695 -50.890 68.971 -11.178 2.648 2.302 H40 2QX 94 2QX H41 H41 H 0 1 N N N -9.610 -52.224 68.452 -10.827 2.252 4.002 H41 2QX 95 2QX H42 H42 H 0 1 N N N -8.698 -50.833 70.343 -8.950 3.503 2.973 H42 2QX 96 2QX H43 H43 H 0 1 N N N -7.641 -50.882 68.891 -8.450 1.854 3.417 H43 2QX 97 2QX H44 H44 H 0 1 N N N -7.724 -48.605 69.748 -7.645 2.447 1.148 H44 2QX 98 2QX H45 H45 H 0 1 N N N -9.521 -48.625 69.732 -9.320 2.762 0.636 H45 2QX 99 2QX H46 H46 H 0 1 N N N -8.588 -47.327 64.554 -10.667 -1.225 -1.474 H46 2QX 100 2QX H47 H47 H 0 1 N N N -7.088 -47.388 65.541 -9.499 -0.622 -2.671 H47 2QX 101 2QX H48 H48 H 0 1 N N N -6.954 -45.968 63.425 -10.226 -3.027 -3.024 H48 2QX 102 2QX H49 H49 H 0 1 N N N -6.496 -45.131 64.947 -8.466 -2.802 -2.871 H49 2QX 103 2QX H50 H50 H 0 1 N N N -8.008 -43.533 64.498 -10.299 -3.534 -0.539 H50 2QX 104 2QX H51 H51 H 0 1 N N N -8.514 -44.406 63.012 -9.374 -4.726 -1.487 H51 2QX 105 2QX H52 H52 H 0 1 N N N -10.169 -45.668 64.226 -7.273 -3.734 -0.839 H52 2QX 106 2QX H53 H53 H 0 1 N N N -11.516 -43.911 65.097 -7.443 -3.912 1.554 H53 2QX 107 2QX H54 H54 H 0 1 N N N -10.248 -42.883 65.143 -9.103 -3.846 1.468 H54 2QX 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 2QX C38 C39 SING N N 1 2QX C38 C37 SING N N 2 2QX C39 C40 SING N N 3 2QX N3 C37 SING N N 4 2QX C37 C36 SING N N 5 2QX C40 N2 SING N N 6 2QX C36 N2 SING N N 7 2QX C36 O1 DOUB N N 8 2QX N2 C29 SING N N 9 2QX C35 C34 SING N N 10 2QX C35 C30 SING N N 11 2QX C34 C33 SING N N 12 2QX C29 C30 SING N N 13 2QX C29 C28 SING N N 14 2QX O C28 DOUB N N 15 2QX C30 C31 SING N N 16 2QX C28 N1 SING N N 17 2QX C33 C32 SING N N 18 2QX C31 C32 SING N N 19 2QX N1 C25 SING N N 20 2QX C24 C25 DOUB Y N 21 2QX C24 C23 SING Y N 22 2QX C25 C26 SING Y N 23 2QX C23 C22 DOUB Y N 24 2QX C26 C27 DOUB Y N 25 2QX C13 C14 DOUB Y N 26 2QX C13 C12 SING Y N 27 2QX C14 C15 SING Y N 28 2QX C22 C27 SING Y N 29 2QX C22 C21 SING N N 30 2QX C20 C21 SING N N 31 2QX C20 C19 SING N N 32 2QX F C12 SING N N 33 2QX C12 C11 DOUB Y N 34 2QX C15 C17 SING N N 35 2QX C15 C16 DOUB Y N 36 2QX C17 C18 SING N N 37 2QX C18 C19 SING N N 38 2QX C16 C11 SING Y N 39 2QX C11 C10 SING N N 40 2QX C9 C10 SING N N 41 2QX C9 C7 SING N N 42 2QX C10 C41 SING N N 43 2QX N4 C41 SING N N 44 2QX N4 C42 SING N N 45 2QX O3 C42 SING N N 46 2QX O3 C43 SING N N 47 2QX C42 O2 DOUB N N 48 2QX C7 C6 DOUB Y N 49 2QX C7 C8 SING Y N 50 2QX C6 N SING Y N 51 2QX C8 C4 DOUB Y N 52 2QX N C5 DOUB Y N 53 2QX C4 C5 SING Y N 54 2QX C4 C3 SING Y N 55 2QX C5 C SING Y N 56 2QX C3 C2 DOUB Y N 57 2QX C C1 DOUB Y N 58 2QX C2 C1 SING Y N 59 2QX C6 H1 SING N N 60 2QX C1 H2 SING N N 61 2QX N1 H3 SING N N 62 2QX C3 H4 SING N N 63 2QX C2 H5 SING N N 64 2QX C43 H6 SING N N 65 2QX C43 H7 SING N N 66 2QX C43 H8 SING N N 67 2QX N4 H9 SING N N 68 2QX C41 H10 SING N N 69 2QX C41 H11 SING N N 70 2QX C10 H12 SING N N 71 2QX C9 H13 SING N N 72 2QX C9 H14 SING N N 73 2QX C8 H15 SING N N 74 2QX C H16 SING N N 75 2QX C16 H17 SING N N 76 2QX C14 H18 SING N N 77 2QX C13 H19 SING N N 78 2QX C17 H20 SING N N 79 2QX C17 H21 SING N N 80 2QX C18 H22 SING N N 81 2QX C18 H23 SING N N 82 2QX C19 H24 SING N N 83 2QX C19 H25 SING N N 84 2QX C20 H26 SING N N 85 2QX C20 H27 SING N N 86 2QX C21 H28 SING N N 87 2QX C21 H29 SING N N 88 2QX C27 H30 SING N N 89 2QX C26 H31 SING N N 90 2QX C24 H32 SING N N 91 2QX C23 H33 SING N N 92 2QX C29 H34 SING N N 93 2QX C30 H35 SING N N 94 2QX C35 H36 SING N N 95 2QX C35 H37 SING N N 96 2QX C34 H38 SING N N 97 2QX C34 H39 SING N N 98 2QX C33 H40 SING N N 99 2QX C33 H41 SING N N 100 2QX C32 H42 SING N N 101 2QX C32 H43 SING N N 102 2QX C31 H44 SING N N 103 2QX C31 H45 SING N N 104 2QX C40 H46 SING N N 105 2QX C40 H47 SING N N 106 2QX C39 H48 SING N N 107 2QX C39 H49 SING N N 108 2QX C38 H50 SING N N 109 2QX C38 H51 SING N N 110 2QX C37 H52 SING N N 111 2QX N3 H53 SING N N 112 2QX N3 H54 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 2QX SMILES ACDLabs 12.01 "O=C(OC)NCC(c1c(F)ccc(c1)CCCCCc2ccc(cc2)NC(=O)C(N3C(=O)C(N)CCC3)C4CCCCC4)Cc5cc6ccccc6nc5" 2QX InChI InChI 1.03 ;InChI=1S/C44H54FN5O4/c1-54-44(53)48-29-35(26-32-25-34-15-8-9-17-40(34)47-28-32)37-27-31(20-23-38(37)45)12-5-2-4-11-30-18-21-36(22-19-30)49-42(51)41(33-13-6-3-7-14-33)50-24-10-16-39(46)43(50)52/h8-9,15,17-23,25,27-28,33,35,39,41H,2-7,10-14,16,24,26,29,46H2,1H3,(H,48,53)(H,49,51)/t35-,39+,41+/m1/s1 ; 2QX InChIKey InChI 1.03 SDVPSGCYRLUZSS-WXSHXSFMSA-N 2QX SMILES_CANONICAL CACTVS 3.385 "COC(=O)NC[C@@H](Cc1cnc2ccccc2c1)c3cc(CCCCCc4ccc(NC(=O)[C@H](C5CCCCC5)N6CCC[C@H](N)C6=O)cc4)ccc3F" 2QX SMILES CACTVS 3.385 "COC(=O)NC[CH](Cc1cnc2ccccc2c1)c3cc(CCCCCc4ccc(NC(=O)[CH](C5CCCCC5)N6CCC[CH](N)C6=O)cc4)ccc3F" 2QX SMILES_CANONICAL "OpenEye OEToolkits" 1.9.2 "COC(=O)NC[C@@H](Cc1cc2ccccc2nc1)c3cc(ccc3F)CCCCCc4ccc(cc4)NC(=O)[C@H](C5CCCCC5)N6CCC[C@@H](C6=O)N" 2QX SMILES "OpenEye OEToolkits" 1.9.2 "COC(=O)NCC(Cc1cc2ccccc2nc1)c3cc(ccc3F)CCCCCc4ccc(cc4)NC(=O)C(C5CCCCC5)N6CCCC(C6=O)N" # 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 2QX "SYSTEMATIC NAME" ACDLabs 12.01 "methyl [(2S)-2-(5-{5-[4-({(2S)-2-[(3S)-3-amino-2-oxopiperidin-1-yl]-2-cyclohexylacetyl}amino)phenyl]pentyl}-2-fluorophenyl)-3-(quinolin-3-yl)propyl]carbamate" 2QX "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.9.2 "methyl N-[(2S)-2-[5-[5-[4-[[(2S)-2-[(3S)-3-azanyl-2-oxidanylidene-piperidin-1-yl]-2-cyclohexyl-ethanoyl]amino]phenyl]pentyl]-2-fluoranyl-phenyl]-3-quinolin-3-yl-propyl]carbamate" # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site 2QX "Create component" 2014-04-30 RCSB 2QX "Modify descriptor" 2014-09-05 RCSB 2QX "Initial release" 2015-06-17 RCSB #