data_2AV # _chem_comp.id 2AV _chem_comp.name "[(1,1,3,3-tetramethyldisiloxane-1,3-diyl)di-1-benzothiene-4,2-diyl]bis({4-[3-(aminomethyl)phenyl]piperidin-1-yl}methanone)" _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "C46 H54 N4 O3 S2 Si2" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms ? _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2013-09-16 _chem_comp.pdbx_modified_date 2015-03-13 _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 831.247 _chem_comp.one_letter_code ? _chem_comp.three_letter_code 2AV _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 4MPX _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 2AV O43 O43 O 0 1 N N N -29.724 -18.123 6.746 5.167 1.246 -2.274 O43 2AV 1 2AV C42 C42 C 0 1 N N N -29.609 -16.922 6.632 5.547 1.435 -1.133 C42 2AV 2 2AV N44 N44 N 0 1 N N N -29.353 -16.343 5.468 6.760 0.997 -0.746 N44 2AV 3 2AV C49 C49 C 0 1 N N N -29.343 -14.871 5.234 7.823 0.762 -1.733 C49 2AV 4 2AV C48 C48 C 0 1 N N N -30.661 -14.634 4.422 8.353 -0.664 -1.559 C48 2AV 5 2AV C47 C47 C 0 1 N N N -30.655 -15.449 3.114 8.789 -0.867 -0.106 C47 2AV 6 2AV C50 C50 C 0 1 Y N N -31.865 -15.313 2.260 9.341 -2.260 0.060 C50 2AV 7 2AV C57 C57 C 0 1 Y N N -32.948 -16.140 2.386 10.646 -2.441 0.478 C57 2AV 8 2AV C54 C54 C 0 1 Y N N -34.061 -15.969 1.555 11.153 -3.718 0.630 C54 2AV 9 2AV C55 C55 C 0 1 N N N -35.271 -16.805 1.733 12.575 -3.915 1.086 C55 2AV 10 2AV N56 N56 N 0 1 N N N -34.981 -18.136 1.293 12.614 -3.991 2.552 N56 2AV 11 2AV C53 C53 C 0 1 Y N N -34.061 -14.991 0.562 10.354 -4.814 0.364 C53 2AV 12 2AV C52 C52 C 0 1 Y N N -32.932 -14.185 0.405 9.049 -4.633 -0.055 C52 2AV 13 2AV C51 C51 C 0 1 Y N N -31.823 -14.361 1.235 8.541 -3.356 -0.201 C51 2AV 14 2AV C46 C46 C 0 1 N N N -30.426 -16.946 3.374 7.586 -0.682 0.821 C46 2AV 15 2AV C60 C60 C 0 1 N N N -29.173 -17.143 4.230 7.049 0.750 0.674 C60 2AV 16 2AV C39 C39 C 0 1 Y N N -29.734 -16.138 7.874 4.683 2.148 -0.180 C39 2AV 17 2AV S38 S38 S 0 1 Y N N -31.033 -16.265 9.009 5.175 2.654 1.426 S38 2AV 18 2AV C40 C40 C 0 1 Y N N -28.796 -15.253 8.318 3.418 2.504 -0.421 C40 2AV 19 2AV C41 C41 C 0 1 Y N N -29.106 -14.665 9.560 2.769 3.179 0.626 C41 2AV 20 2AV C37 C37 C 0 1 Y N N -30.295 -15.156 10.054 3.593 3.354 1.745 C37 2AV 21 2AV C36 C36 C 0 1 Y N N -30.821 -14.723 11.284 3.099 4.011 2.877 C36 2AV 22 2AV C45 C45 C 0 1 Y N N -30.080 -13.779 11.975 1.808 4.479 2.896 C45 2AV 23 2AV C34 C34 C 0 1 Y N N -28.880 -13.259 11.471 0.984 4.303 1.791 C34 2AV 24 2AV C33 C33 C 0 1 Y N N -28.377 -13.712 10.266 1.445 3.678 0.675 C33 2AV 25 2AV SI2 SI2 SI 0 0 N N N -26.781 -13.026 9.545 0.319 3.465 -0.800 SI2 2AV 26 2AV C1 C1 C 0 1 N N N -27.279 -12.080 8.005 -1.334 4.245 -0.437 C1 2AV 27 2AV C3 C3 C 0 1 N N N -25.526 -14.342 9.115 1.081 4.288 -2.287 C3 2AV 28 2AV O4 O4 O 0 1 N N N -26.119 -11.931 10.518 0.115 1.876 -1.103 O4 2AV 29 2AV SI5 SI5 SI 0 0 N N N -24.681 -11.199 10.352 -0.447 1.024 0.169 SI5 2AV 30 2AV C6 C6 C 0 1 N N N -23.884 -11.167 8.665 0.875 0.917 1.477 C6 2AV 31 2AV C7 C7 C 0 1 N N N -23.526 -12.147 11.490 -1.948 1.876 0.872 C7 2AV 32 2AV C8 C8 C 0 1 Y N N -25.070 -9.492 11.001 -0.912 -0.696 -0.389 C8 2AV 33 2AV C16 C16 C 0 1 Y N N -24.002 -8.772 11.495 -2.179 -0.925 -0.978 C16 2AV 34 2AV C12 C12 C 0 1 Y N N -24.197 -7.491 11.995 -2.502 -2.225 -1.388 C12 2AV 35 2AV C11 C11 C 0 1 Y N N -25.463 -6.893 12.034 -1.579 -3.261 -1.211 C11 2AV 36 2AV C10 C10 C 0 1 Y N N -26.548 -7.636 11.521 -0.358 -3.007 -0.636 C10 2AV 37 2AV C9 C9 C 0 1 Y N N -26.343 -8.938 11.010 -0.030 -1.718 -0.232 C9 2AV 38 2AV C15 C15 C 0 1 Y N N -22.639 -9.200 11.565 -3.213 -0.009 -1.228 C15 2AV 39 2AV C14 C14 C 0 1 Y N N -21.828 -8.260 12.100 -4.308 -0.516 -1.802 C14 2AV 40 2AV S13 S13 S 0 1 Y N N -22.730 -6.829 12.530 -4.119 -2.239 -2.082 S13 2AV 41 2AV C17 C17 C 0 1 N N N -20.386 -8.388 12.259 -5.506 0.261 -2.151 C17 2AV 42 2AV O18 O18 O 0 1 N N N -19.781 -7.477 11.785 -5.391 1.365 -2.649 O18 2AV 43 2AV N19 N19 N 0 1 N N N -19.822 -9.442 12.850 -6.732 -0.250 -1.918 N19 2AV 44 2AV C24 C24 C 0 1 N N N -20.490 -10.563 13.524 -7.934 0.571 -2.117 C24 2AV 45 2AV C23 C23 C 0 1 N N N -20.125 -10.228 14.993 -8.769 0.541 -0.832 C23 2AV 46 2AV C22 C22 C 0 1 N N N -18.575 -10.274 15.181 -9.056 -0.913 -0.450 C22 2AV 47 2AV C21 C21 C 0 1 N N N -17.870 -9.292 14.252 -7.737 -1.643 -0.186 C21 2AV 48 2AV C20 C20 C 0 1 N N N -18.377 -9.538 12.898 -6.891 -1.639 -1.468 C20 2AV 49 2AV C25 C25 C 0 1 Y N N -18.155 -10.054 16.611 -9.906 -0.946 0.794 C25 2AV 50 2AV C32 C32 C 0 1 Y N N -17.884 -8.812 17.172 -11.152 -1.544 0.764 C32 2AV 51 2AV C29 C29 C 0 1 Y N N -17.518 -8.637 18.510 -11.932 -1.575 1.906 C29 2AV 52 2AV C30 C30 C 0 1 N N N -17.246 -7.284 19.080 -13.290 -2.227 1.873 C30 2AV 53 2AV N31 N31 N 0 1 N N N -16.043 -6.711 18.493 -13.160 -3.648 2.221 N31 2AV 54 2AV C28 C28 C 0 1 Y N N -17.368 -9.734 19.320 -11.465 -1.008 3.077 C28 2AV 55 2AV C27 C27 C 0 1 Y N N -17.673 -10.994 18.794 -10.219 -0.410 3.106 C27 2AV 56 2AV C26 C26 C 0 1 Y N N -18.024 -11.180 17.461 -9.438 -0.383 1.967 C26 2AV 57 2AV H1 H1 H 0 1 N N N -28.460 -14.569 4.651 7.419 0.882 -2.739 H1 2AV 58 2AV H2 H2 H 0 1 N N N -29.360 -14.319 6.186 8.631 1.477 -1.577 H2 2AV 59 2AV H3 H3 H 0 1 N N N -30.747 -13.565 4.180 7.566 -1.377 -1.805 H3 2AV 60 2AV H4 H4 H 0 1 N N N -31.521 -14.942 5.034 9.205 -0.819 -2.220 H4 2AV 61 2AV H5 H5 H 0 1 N N N -29.797 -15.095 2.525 9.559 -0.139 0.149 H5 2AV 62 2AV H6 H6 H 0 1 N N N -32.944 -16.925 3.127 11.270 -1.584 0.687 H6 2AV 63 2AV H7 H7 H 0 1 N N N -36.098 -16.391 1.137 12.967 -4.841 0.664 H7 2AV 64 2AV H8 H8 H 0 1 N N N -35.556 -16.821 2.795 13.184 -3.076 0.749 H8 2AV 65 2AV H9 H9 H 0 1 N N N -35.792 -18.710 1.409 12.006 -4.721 2.893 H9 2AV 66 2AV H10 H10 H 0 1 N N N -34.720 -18.118 0.328 13.558 -4.123 2.883 H10 2AV 67 2AV H12 H12 H 0 1 N N N -34.922 -14.859 -0.077 10.749 -5.812 0.482 H12 2AV 68 2AV H13 H13 H 0 1 N N N -32.916 -13.423 -0.360 8.425 -5.490 -0.263 H13 2AV 69 2AV H14 H14 H 0 1 N N N -30.935 -13.764 1.086 7.521 -3.215 -0.528 H14 2AV 70 2AV H15 H15 H 0 1 N N N -31.297 -17.361 3.902 6.806 -1.395 0.552 H15 2AV 71 2AV H16 H16 H 0 1 N N N -30.297 -17.467 2.414 7.893 -0.850 1.854 H16 2AV 72 2AV H17 H17 H 0 1 N N N -29.054 -18.207 4.483 7.796 1.459 1.029 H17 2AV 73 2AV H18 H18 H 0 1 N N N -28.285 -16.795 3.683 6.133 0.858 1.256 H18 2AV 74 2AV H19 H19 H 0 1 N N N -27.896 -15.024 7.767 2.927 2.288 -1.358 H19 2AV 75 2AV H20 H20 H 0 1 N N N -31.754 -15.107 11.670 3.735 4.149 3.739 H20 2AV 76 2AV H21 H21 H 0 1 N N N -30.438 -13.432 12.933 1.431 4.985 3.773 H21 2AV 77 2AV H22 H22 H 0 1 N N N -28.347 -12.502 12.026 -0.030 4.674 1.815 H22 2AV 78 2AV H23 H23 H 0 1 N N N -28.017 -11.309 8.270 -1.233 5.331 -0.445 H23 2AV 79 2AV H24 H24 H 0 1 N N N -26.391 -11.602 7.566 -2.053 3.942 -1.198 H24 2AV 80 2AV H25 H25 H 0 1 N N N -27.721 -12.774 7.275 -1.682 3.920 0.543 H25 2AV 81 2AV H26 H26 H 0 1 N N N -25.242 -14.890 10.026 2.003 3.773 -2.555 H26 2AV 82 2AV H27 H27 H 0 1 N N N -25.963 -15.042 8.388 0.384 4.244 -3.124 H27 2AV 83 2AV H28 H28 H 0 1 N N N -24.634 -13.869 8.678 1.302 5.330 -2.053 H28 2AV 84 2AV H29 H29 H 0 1 N N N -22.922 -10.637 8.724 0.961 1.876 1.987 H29 2AV 85 2AV H30 H30 H 0 1 N N N -23.715 -12.198 8.320 0.611 0.144 2.198 H30 2AV 86 2AV H31 H31 H 0 1 N N N -24.546 -10.647 7.957 1.828 0.667 1.010 H31 2AV 87 2AV H32 H32 H 0 1 N N N -23.959 -12.190 12.500 -2.540 2.297 0.060 H32 2AV 88 2AV H33 H33 H 0 1 N N N -23.390 -13.169 11.106 -2.550 1.154 1.424 H33 2AV 89 2AV H34 H34 H 0 1 N N N -22.552 -11.638 11.531 -1.631 2.674 1.543 H34 2AV 90 2AV H35 H35 H 0 1 N N N -25.603 -5.902 12.441 -1.828 -4.264 -1.527 H35 2AV 91 2AV H36 H36 H 0 1 N N N -27.539 -7.208 11.519 0.352 -3.810 -0.501 H36 2AV 92 2AV H37 H37 H 0 1 N N N -27.179 -9.503 10.626 0.935 -1.527 0.215 H37 2AV 93 2AV H38 H38 H 0 1 N N N -22.296 -10.167 11.228 -3.129 1.037 -0.973 H38 2AV 94 2AV H39 H39 H 0 1 N N N -21.577 -10.553 13.358 -7.643 1.598 -2.339 H39 2AV 95 2AV H40 H40 H 0 1 N N N -20.080 -11.534 13.210 -8.520 0.168 -2.943 H40 2AV 96 2AV H41 H41 H 0 1 N N N -20.492 -9.221 15.239 -8.217 1.026 -0.028 H41 2AV 97 2AV H42 H42 H 0 1 N N N -20.595 -10.964 15.662 -9.710 1.066 -0.998 H42 2AV 98 2AV H43 H43 H 0 1 N N N -18.250 -11.285 14.894 -9.587 -1.405 -1.265 H43 2AV 99 2AV H44 H44 H 0 1 N N N -16.783 -9.457 14.283 -7.195 -1.137 0.613 H44 2AV 100 2AV H45 H45 H 0 1 N N N -18.093 -8.259 14.556 -7.944 -2.672 0.110 H45 2AV 101 2AV H46 H46 H 0 1 N N N -18.074 -10.547 12.580 -7.393 -2.219 -2.243 H46 2AV 102 2AV H47 H47 H 0 1 N N N -17.946 -8.793 12.213 -5.912 -2.071 -1.263 H47 2AV 103 2AV H48 H48 H 0 1 N N N -17.960 -7.938 16.543 -11.516 -1.988 -0.151 H48 2AV 104 2AV H49 H49 H 0 1 N N N -17.111 -7.371 20.168 -13.946 -1.735 2.592 H49 2AV 105 2AV H50 H50 H 0 1 N N N -18.101 -6.624 18.868 -13.713 -2.135 0.873 H50 2AV 106 2AV H51 H51 H 0 1 N N N -15.878 -5.807 18.887 -12.710 -3.761 3.117 H51 2AV 107 2AV H52 H52 H 0 1 N N N -15.263 -7.306 18.685 -14.058 -4.108 2.206 H52 2AV 108 2AV H54 H54 H 0 1 N N N -17.023 -9.628 20.338 -12.074 -1.032 3.968 H54 2AV 109 2AV H55 H55 H 0 1 N N N -17.635 -11.854 19.447 -9.855 0.034 4.021 H55 2AV 110 2AV H56 H56 H 0 1 N N N -18.195 -12.175 17.077 -8.462 0.080 1.991 H56 2AV 111 # 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 2AV C52 C53 DOUB Y N 1 2AV C52 C51 SING Y N 2 2AV C53 C54 SING Y N 3 2AV C51 C50 DOUB Y N 4 2AV N56 C55 SING N N 5 2AV C54 C55 SING N N 6 2AV C54 C57 DOUB Y N 7 2AV C50 C57 SING Y N 8 2AV C50 C47 SING N N 9 2AV C47 C46 SING N N 10 2AV C47 C48 SING N N 11 2AV C46 C60 SING N N 12 2AV C60 N44 SING N N 13 2AV C48 C49 SING N N 14 2AV C49 N44 SING N N 15 2AV N44 C42 SING N N 16 2AV C42 O43 DOUB N N 17 2AV C42 C39 SING N N 18 2AV C39 C40 DOUB Y N 19 2AV C39 S38 SING Y N 20 2AV C1 SI2 SING N N 21 2AV C40 C41 SING Y N 22 2AV C6 SI5 SING N N 23 2AV S38 C37 SING Y N 24 2AV C3 SI2 SING N N 25 2AV SI2 C33 SING N N 26 2AV SI2 O4 SING N N 27 2AV C41 C37 DOUB Y N 28 2AV C41 C33 SING Y N 29 2AV C37 C36 SING Y N 30 2AV C33 C34 DOUB Y N 31 2AV SI5 O4 SING N N 32 2AV SI5 C8 SING N N 33 2AV SI5 C7 SING N N 34 2AV C8 C9 DOUB Y N 35 2AV C8 C16 SING Y N 36 2AV C9 C10 SING Y N 37 2AV C36 C45 DOUB Y N 38 2AV C34 C45 SING Y N 39 2AV C16 C15 SING Y N 40 2AV C16 C12 DOUB Y N 41 2AV C10 C11 DOUB Y N 42 2AV C15 C14 DOUB Y N 43 2AV O18 C17 DOUB N N 44 2AV C12 C11 SING Y N 45 2AV C12 S13 SING Y N 46 2AV C14 C17 SING N N 47 2AV C14 S13 SING Y N 48 2AV C17 N19 SING N N 49 2AV N19 C20 SING N N 50 2AV N19 C24 SING N N 51 2AV C20 C21 SING N N 52 2AV C24 C23 SING N N 53 2AV C21 C22 SING N N 54 2AV C23 C22 SING N N 55 2AV C22 C25 SING N N 56 2AV C25 C32 DOUB Y N 57 2AV C25 C26 SING Y N 58 2AV C32 C29 SING Y N 59 2AV C26 C27 DOUB Y N 60 2AV N31 C30 SING N N 61 2AV C29 C30 SING N N 62 2AV C29 C28 DOUB Y N 63 2AV C27 C28 SING Y N 64 2AV C49 H1 SING N N 65 2AV C49 H2 SING N N 66 2AV C48 H3 SING N N 67 2AV C48 H4 SING N N 68 2AV C47 H5 SING N N 69 2AV C57 H6 SING N N 70 2AV C55 H7 SING N N 71 2AV C55 H8 SING N N 72 2AV N56 H9 SING N N 73 2AV N56 H10 SING N N 74 2AV C53 H12 SING N N 75 2AV C52 H13 SING N N 76 2AV C51 H14 SING N N 77 2AV C46 H15 SING N N 78 2AV C46 H16 SING N N 79 2AV C60 H17 SING N N 80 2AV C60 H18 SING N N 81 2AV C40 H19 SING N N 82 2AV C36 H20 SING N N 83 2AV C45 H21 SING N N 84 2AV C34 H22 SING N N 85 2AV C1 H23 SING N N 86 2AV C1 H24 SING N N 87 2AV C1 H25 SING N N 88 2AV C3 H26 SING N N 89 2AV C3 H27 SING N N 90 2AV C3 H28 SING N N 91 2AV C6 H29 SING N N 92 2AV C6 H30 SING N N 93 2AV C6 H31 SING N N 94 2AV C7 H32 SING N N 95 2AV C7 H33 SING N N 96 2AV C7 H34 SING N N 97 2AV C11 H35 SING N N 98 2AV C10 H36 SING N N 99 2AV C9 H37 SING N N 100 2AV C15 H38 SING N N 101 2AV C24 H39 SING N N 102 2AV C24 H40 SING N N 103 2AV C23 H41 SING N N 104 2AV C23 H42 SING N N 105 2AV C22 H43 SING N N 106 2AV C21 H44 SING N N 107 2AV C21 H45 SING N N 108 2AV C20 H46 SING N N 109 2AV C20 H47 SING N N 110 2AV C32 H48 SING N N 111 2AV C30 H49 SING N N 112 2AV C30 H50 SING N N 113 2AV N31 H51 SING N N 114 2AV N31 H52 SING N N 115 2AV C28 H54 SING N N 116 2AV C27 H55 SING N N 117 2AV C26 H56 SING N N 118 # 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 2AV SMILES ACDLabs 12.01 "O=C(N2CCC(c1cccc(c1)CN)CC2)c4sc3cccc(c3c4)[Si](O[Si](c5cccc6sc(cc56)C(=O)N8CCC(c7cccc(c7)CN)CC8)(C)C)(C)C" 2AV InChI InChI 1.03 ;InChI=1S/C46H54N4O3S2Si2/c1-56(2,43-15-7-13-39-37(43)27-41(54-39)45(51)49-21-17-33(18-22-49)35-11-5-9-31(25-35)29-47)53-57(3,4)44-16-8-14-40-38(44)28-42(55-40)46(52)50-23-19-34(20-24-50)36-12-6-10-32(26-36)30-48/h5-16,25-28,33-34H,17-24,29-30,47-48H2,1-4H3 ; 2AV InChIKey InChI 1.03 HUNBWFBTHACFDP-UHFFFAOYSA-N 2AV SMILES_CANONICAL CACTVS 3.385 "C[Si](C)(O[Si](C)(C)c1cccc2sc(cc12)C(=O)N3CCC(CC3)c4cccc(CN)c4)c5cccc6sc(cc56)C(=O)N7CCC(CC7)c8cccc(CN)c8" 2AV SMILES CACTVS 3.385 "C[Si](C)(O[Si](C)(C)c1cccc2sc(cc12)C(=O)N3CCC(CC3)c4cccc(CN)c4)c5cccc6sc(cc56)C(=O)N7CCC(CC7)c8cccc(CN)c8" 2AV SMILES_CANONICAL "OpenEye OEToolkits" 1.7.6 "C[Si](C)(c1cccc2c1cc(s2)C(=O)N3CCC(CC3)c4cccc(c4)CN)O[Si](C)(C)c5cccc6c5cc(s6)C(=O)N7CCC(CC7)c8cccc(c8)CN" 2AV SMILES "OpenEye OEToolkits" 1.7.6 "C[Si](C)(c1cccc2c1cc(s2)C(=O)N3CCC(CC3)c4cccc(c4)CN)O[Si](C)(C)c5cccc6c5cc(s6)C(=O)N7CCC(CC7)c8cccc(c8)CN" # 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 2AV "SYSTEMATIC NAME" ACDLabs 12.01 "[(1,1,3,3-tetramethyldisiloxane-1,3-diyl)di-1-benzothiene-4,2-diyl]bis({4-[3-(aminomethyl)phenyl]piperidin-1-yl}methanone)" 2AV "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.7.6 "[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[4-[[[2-[4-[3-(aminomethyl)phenyl]piperidin-1-yl]carbonyl-1-benzothiophen-4-yl]-dimethyl-silyl]oxy-dimethyl-silyl]-1-benzothiophen-2-yl]methanone" # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site 2AV "Create component" 2013-09-16 RCSB 2AV "Initial release" 2015-03-18 RCSB #