data_PI5 # _chem_comp.id PI5 _chem_comp.name "N-[3-(8-SEC-BUTYL-7,10-DIOXO-2-OXA-6,9-DIAZA-BICYCLO[11.2.2]HEPTADECA-1(16),13(17),14- TRIEN-11-YLAMINO)-2-HYDROXY-1-(4-HYDROXY-BENZYL)-PROPYL]-3-METHYL-2- (2-OXO-PYRROLIDIN-1-YL)-BUTYRAMIDE" _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "C37 H53 N5 O7" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms "MACROCYCLIC PEPTIDOMIMETIC INHIBITOR 5" _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 1999-07-08 _chem_comp.pdbx_modified_date 2021-03-01 _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 679.846 _chem_comp.one_letter_code ? _chem_comp.three_letter_code PI5 _chem_comp.pdbx_model_coordinates_details ? _chem_comp.pdbx_model_coordinates_missing_flag N _chem_comp.pdbx_ideal_coordinates_details ? _chem_comp.pdbx_ideal_coordinates_missing_flag N _chem_comp.pdbx_model_coordinates_db_code 1B6K _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 PI5 C1 C1 C 0 1 N N N 3.951 3.591 8.449 5.366 -0.768 -3.295 C1 PI5 1 PI5 C2 C2 C 0 1 N N N 3.359 2.366 9.193 4.207 0.177 -2.907 C2 PI5 2 PI5 C3 C3 C 0 1 N N N 3.531 4.151 10.659 3.273 -1.429 -4.300 C3 PI5 3 PI5 O4 O4 O 0 1 N N N 3.545 4.772 11.727 2.495 -1.993 -5.040 O4 PI5 4 PI5 C5 C5 C 0 1 N N N 3.850 4.804 9.347 4.603 -1.992 -3.849 C5 PI5 5 PI5 N6 N6 N 0 1 N N N 3.229 2.845 10.595 3.082 -0.210 -3.766 N6 PI5 6 PI5 C7 C7 C 0 1 N N S 2.904 2.093 11.806 1.901 0.621 -4.007 C7 PI5 7 PI5 C8 C8 C 0 1 N N N 1.614 1.264 11.573 1.713 0.817 -5.513 C8 PI5 8 PI5 C9 C9 C 0 1 N N N 1.272 0.458 12.812 0.553 1.783 -5.761 C9 PI5 9 PI5 C10 C10 C 0 1 N N N 0.456 2.186 11.248 2.995 1.395 -6.115 C10 PI5 10 PI5 C11 C11 C 0 1 N N N 4.108 1.214 12.123 0.684 -0.056 -3.433 C11 PI5 11 PI5 O12 O12 O 0 1 N N N 4.251 0.103 11.590 0.732 -1.227 -3.121 O12 PI5 12 PI5 N13 N13 N 0 1 N N N 4.993 1.739 12.965 -0.458 0.638 -3.267 N13 PI5 13 PI5 C14 C14 C 0 1 N N S 6.209 1.025 13.362 -1.619 0.000 -2.640 C14 PI5 14 PI5 C15 C15 C 0 1 N N N 7.437 1.897 13.106 -2.066 -1.190 -3.490 C15 PI5 15 PI5 C16 C16 C 0 1 Y N N 7.597 2.299 11.670 -2.564 -0.697 -4.824 C16 PI5 16 PI5 C17 C17 C 0 1 Y N N 7.807 1.343 10.684 -1.720 -0.700 -5.919 C17 PI5 17 PI5 C18 C18 C 0 1 Y N N 7.514 3.636 11.290 -3.865 -0.248 -4.952 C18 PI5 18 PI5 C19 C19 C 0 1 Y N N 7.927 1.703 9.354 -2.173 -0.248 -7.143 C19 PI5 19 PI5 C20 C20 C 0 1 Y N N 7.633 4.009 9.964 -4.322 0.209 -6.173 C20 PI5 20 PI5 C21 C21 C 0 1 Y N N 7.838 3.036 9.001 -3.477 0.208 -7.274 C21 PI5 21 PI5 C22 C22 C 0 1 N N R 6.173 0.620 14.824 -1.240 -0.485 -1.240 C22 PI5 22 PI5 C23 C23 C 0 1 N N N 4.985 -0.289 15.106 -0.793 0.706 -0.390 C23 PI5 23 PI5 O24 O24 O 0 1 N N N 7.384 -0.073 15.137 -2.372 -1.107 -0.629 O24 PI5 24 PI5 O25 O25 O 0 1 N N N 7.946 3.390 7.675 -3.925 0.653 -8.477 O25 PI5 25 PI5 N26 N26 N 0 1 N N N 5.022 -0.658 16.524 -0.429 0.239 0.953 N26 PI5 26 PI5 C27 C27 C 0 1 N N S 4.809 -2.109 16.808 -0.011 1.425 1.713 C27 PI5 27 PI5 C28 C28 C 0 1 N N N 3.407 -2.561 16.399 -1.249 2.204 2.162 C28 PI5 28 PI5 C29 C29 C 0 1 Y N N 3.256 -4.052 16.524 -1.870 1.519 3.352 C29 PI5 29 PI5 C30 C30 C 0 1 Y N N 3.209 -4.663 17.779 -1.563 1.944 4.631 C30 PI5 30 PI5 C31 C31 C 0 1 Y N N 3.209 -6.039 17.903 -2.132 1.317 5.723 C31 PI5 31 PI5 C32 C32 C 0 1 Y N N 3.285 -4.864 15.395 -2.745 0.465 3.162 C32 PI5 32 PI5 C33 C33 C 0 1 Y N N 3.287 -6.238 15.509 -3.317 -0.163 4.250 C33 PI5 33 PI5 C34 C34 C 0 1 Y N N 3.255 -6.820 16.762 -3.011 0.261 5.535 C34 PI5 34 PI5 O35 O35 O 0 1 N N N 3.299 -8.190 16.851 -3.572 -0.356 6.608 O35 PI5 35 PI5 C36 C36 C 0 1 N N N 3.818 -8.846 17.992 -2.518 -1.040 7.288 C36 PI5 36 PI5 C37 C37 C 0 1 N N N 5.834 -3.104 16.261 0.778 0.994 2.922 C37 PI5 37 PI5 O38 O38 O 0 1 N N N 6.091 -3.164 15.056 1.123 1.806 3.755 O38 PI5 38 PI5 N39 N39 N 0 1 N N N 6.399 -3.897 17.167 1.098 -0.323 3.062 N39 PI5 39 PI5 C40 C40 C 0 1 N N S 7.389 -4.931 16.830 1.891 -0.672 4.260 C40 PI5 40 PI5 C41 C41 C 0 1 N N N 7.069 -6.010 17.867 0.957 -0.915 5.416 C41 PI5 41 PI5 O42 O42 O 0 1 N N N 7.213 -5.779 19.076 0.672 -0.015 6.177 O42 PI5 42 PI5 C43 C43 C 0 1 N N S 8.856 -4.457 17.051 2.838 0.479 4.600 C43 PI5 43 PI5 C44 C44 C 0 1 N N N 9.216 -3.331 16.084 3.661 0.846 3.364 C44 PI5 44 PI5 C45 C45 C 0 1 N N N 9.825 -5.617 16.852 3.778 0.050 5.729 C45 PI5 45 PI5 C46 C46 C 0 1 N N N 9.552 -3.793 14.695 4.608 1.998 3.705 C46 PI5 46 PI5 N47 N47 N 0 1 N N N 6.590 -7.161 17.402 0.433 -2.163 5.593 N47 PI5 47 PI5 C48 C48 C 0 1 N N N 6.267 -8.247 18.315 -0.444 -2.334 6.770 C48 PI5 48 PI5 C49 C49 C 0 1 N N N 5.268 -9.271 17.781 -1.892 -2.073 6.349 C49 PI5 49 PI5 H11 1H1 H 0 1 N N N 4.992 3.410 8.093 5.995 -0.319 -4.063 H11 PI5 50 PI5 H12 2H1 H 0 1 N N N 3.473 3.756 7.454 5.957 -1.040 -2.420 H12 PI5 51 PI5 H21 1H2 H 0 1 N N N 2.416 1.967 8.750 4.487 1.213 -3.096 H21 PI5 52 PI5 H22A 2H2 H 0 0 N N N 3.947 1.425 9.077 3.945 0.041 -1.858 H22A PI5 53 PI5 H51 1H5 H 0 1 N N N 4.738 5.478 9.347 5.141 -2.428 -4.692 H51 PI5 54 PI5 H52 2H5 H 0 1 N N N 3.134 5.591 9.014 4.453 -2.735 -3.066 H52 PI5 55 PI5 H7 H7 H 0 1 N N N 2.700 2.764 12.672 2.036 1.591 -3.528 H7 PI5 56 PI5 H8 H8 H 0 1 N N N 1.793 0.569 10.719 1.493 -0.142 -5.979 H8 PI5 57 PI5 H91 1H9 H 0 1 N N N 0.344 -0.138 12.644 0.460 1.972 -6.830 H91 PI5 58 PI5 H92 2H9 H 0 1 N N N 2.124 -0.182 13.138 -0.371 1.343 -5.388 H92 PI5 59 PI5 H93 3H9 H 0 1 N N N 1.193 1.102 13.718 0.744 2.722 -5.241 H93 PI5 60 PI5 H101 1H10 H 0 0 N N N -0.471 1.590 11.080 3.173 2.389 -5.705 H101 PI5 61 PI5 H102 2H10 H 0 0 N N N 0.313 2.969 12.028 3.836 0.746 -5.872 H102 PI5 62 PI5 H103 3H10 H 0 0 N N N 0.684 2.855 10.385 2.889 1.463 -7.198 H103 PI5 63 PI5 H13 H13 H 0 1 N N N 4.744 2.670 13.299 -0.512 1.561 -3.561 H13 PI5 64 PI5 H14 H14 H 0 1 N N N 6.267 0.097 12.746 -2.434 0.721 -2.567 H14 PI5 65 PI5 H151 1H15 H 0 0 N N N 7.429 2.794 13.768 -1.223 -1.864 -3.643 H151 PI5 66 PI5 H152 2H15 H 0 0 N N N 8.360 1.397 13.481 -2.868 -1.721 -2.977 H152 PI5 67 PI5 H17 H17 H 0 1 N N N 7.879 0.278 10.962 -0.705 -1.055 -5.818 H17 PI5 68 PI5 H18 H18 H 0 1 N N N 7.350 4.414 12.054 -4.522 -0.247 -4.096 H18 PI5 69 PI5 H19 H19 H 0 1 N N N 8.092 0.933 8.581 -1.513 -0.249 -7.998 H19 PI5 70 PI5 H20 H20 H 0 1 N N N 7.565 5.071 9.677 -5.337 0.565 -6.272 H20 PI5 71 PI5 H22 H22 H 0 1 N N N 6.071 1.535 15.452 -0.425 -1.205 -1.313 H22 PI5 72 PI5 H231 1H23 H 0 0 N N N 4.012 0.166 14.804 -1.607 1.426 -0.317 H231 PI5 73 PI5 H232 2H23 H 0 0 N N N 4.950 -1.175 14.430 0.070 1.180 -0.856 H232 PI5 74 PI5 H24 H24 H 0 1 N N N 7.361 -0.326 16.052 -3.068 -0.437 -0.583 H24 PI5 75 PI5 H25 H25 H 0 1 N N N 7.884 4.306 7.432 -4.296 -0.112 -8.937 H25 PI5 76 PI5 H26 H26 H 0 1 N N N 4.354 -0.095 17.050 0.389 -0.340 0.847 H26 PI5 77 PI5 H27 H27 H 0 1 N N N 4.950 -2.143 17.913 0.608 2.061 1.081 H27 PI5 78 PI5 H281 1H28 H 0 0 N N N 2.618 -2.020 16.973 -0.959 3.219 2.437 H281 PI5 79 PI5 H282 2H28 H 0 0 N N N 3.145 -2.207 15.374 -1.971 2.242 1.346 H282 PI5 80 PI5 H30 H30 H 0 1 N N N 3.171 -4.045 18.692 -0.878 2.766 4.777 H30 PI5 81 PI5 H31 H31 H 0 1 N N N 3.172 -6.508 18.900 -1.892 1.649 6.722 H31 PI5 82 PI5 H32 H32 H 0 1 N N N 3.306 -4.409 14.390 -2.982 0.135 2.161 H32 PI5 83 PI5 H33 H33 H 0 1 N N N 3.314 -6.867 14.603 -4.000 -0.986 4.101 H33 PI5 84 PI5 H361 1H36 H 0 0 N N N 3.705 -8.221 18.908 -1.758 -0.322 7.596 H361 PI5 85 PI5 H362 2H36 H 0 0 N N N 3.179 -9.709 18.292 -2.919 -1.544 8.167 H362 PI5 86 PI5 H39 H39 H 0 1 N N N 6.074 -3.712 18.116 0.822 -0.991 2.416 H39 PI5 87 PI5 H40 H40 H 0 1 N N N 7.328 -5.239 15.760 2.471 -1.575 4.063 H40 PI5 88 PI5 H43 H43 H 0 1 N N N 8.937 -4.078 18.096 2.258 1.344 4.920 H43 PI5 89 PI5 H441 1H44 H 0 0 N N N 8.403 -2.568 16.054 2.992 1.151 2.560 H441 PI5 90 PI5 H442 2H44 H 0 0 N N N 10.044 -2.710 16.499 4.242 -0.019 3.044 H442 PI5 91 PI5 H451 1H45 H 0 0 N N N 10.875 -5.277 17.010 4.320 -0.845 5.430 H451 PI5 92 PI5 H452 2H45 H 0 0 N N N 9.568 -6.488 17.498 4.487 0.852 5.936 H452 PI5 93 PI5 H453 3H45 H 0 0 N N N 9.691 -6.103 15.857 3.196 -0.159 6.627 H453 PI5 94 PI5 H461 1H46 H 0 0 N N N 9.814 -2.971 13.989 5.194 2.259 2.823 H461 PI5 95 PI5 H462 2H46 H 0 0 N N N 10.364 -4.556 14.724 4.027 2.863 4.024 H462 PI5 96 PI5 H463 3H46 H 0 0 N N N 8.723 -4.413 14.279 5.277 1.693 4.509 H463 PI5 97 PI5 H47 H47 H 0 1 N N N 6.475 -7.208 16.389 0.626 -2.893 4.985 H47 PI5 98 PI5 H481 1H48 H 0 0 N N N 7.200 -8.758 18.647 -0.157 -1.625 7.546 H481 PI5 99 PI5 H482 2H48 H 0 0 N N N 5.911 -7.836 19.288 -0.352 -3.351 7.150 H482 PI5 100 PI5 H491 1H49 H 0 0 N N N 5.456 -10.279 18.218 -2.458 -3.003 6.401 H491 PI5 101 PI5 H492 2H49 H 0 0 N N N 5.465 -9.499 16.707 -1.910 -1.694 5.327 H492 PI5 102 # # 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 PI5 C1 C2 SING N N 1 PI5 C1 C5 SING N N 2 PI5 C1 H11 SING N N 3 PI5 C1 H12 SING N N 4 PI5 C2 N6 SING N N 5 PI5 C2 H21 SING N N 6 PI5 C2 H22A SING N N 7 PI5 C3 O4 DOUB N N 8 PI5 C3 C5 SING N N 9 PI5 C3 N6 SING N N 10 PI5 C5 H51 SING N N 11 PI5 C5 H52 SING N N 12 PI5 N6 C7 SING N N 13 PI5 C7 C8 SING N N 14 PI5 C7 C11 SING N N 15 PI5 C7 H7 SING N N 16 PI5 C8 C9 SING N N 17 PI5 C8 C10 SING N N 18 PI5 C8 H8 SING N N 19 PI5 C9 H91 SING N N 20 PI5 C9 H92 SING N N 21 PI5 C9 H93 SING N N 22 PI5 C10 H101 SING N N 23 PI5 C10 H102 SING N N 24 PI5 C10 H103 SING N N 25 PI5 C11 O12 DOUB N N 26 PI5 C11 N13 SING N N 27 PI5 N13 C14 SING N N 28 PI5 N13 H13 SING N N 29 PI5 C14 C15 SING N N 30 PI5 C14 C22 SING N N 31 PI5 C14 H14 SING N N 32 PI5 C15 C16 SING N N 33 PI5 C15 H151 SING N N 34 PI5 C15 H152 SING N N 35 PI5 C16 C17 DOUB Y N 36 PI5 C16 C18 SING Y N 37 PI5 C17 C19 SING Y N 38 PI5 C17 H17 SING N N 39 PI5 C18 C20 DOUB Y N 40 PI5 C18 H18 SING N N 41 PI5 C19 C21 DOUB Y N 42 PI5 C19 H19 SING N N 43 PI5 C20 C21 SING Y N 44 PI5 C20 H20 SING N N 45 PI5 C21 O25 SING N N 46 PI5 C22 C23 SING N N 47 PI5 C22 O24 SING N N 48 PI5 C22 H22 SING N N 49 PI5 C23 N26 SING N N 50 PI5 C23 H231 SING N N 51 PI5 C23 H232 SING N N 52 PI5 O24 H24 SING N N 53 PI5 O25 H25 SING N N 54 PI5 N26 C27 SING N N 55 PI5 N26 H26 SING N N 56 PI5 C27 C28 SING N N 57 PI5 C27 C37 SING N N 58 PI5 C27 H27 SING N N 59 PI5 C28 C29 SING N N 60 PI5 C28 H281 SING N N 61 PI5 C28 H282 SING N N 62 PI5 C29 C30 SING Y N 63 PI5 C29 C32 DOUB Y N 64 PI5 C30 C31 DOUB Y N 65 PI5 C30 H30 SING N N 66 PI5 C31 C34 SING Y N 67 PI5 C31 H31 SING N N 68 PI5 C32 C33 SING Y N 69 PI5 C32 H32 SING N N 70 PI5 C33 C34 DOUB Y N 71 PI5 C33 H33 SING N N 72 PI5 C34 O35 SING N N 73 PI5 O35 C36 SING N N 74 PI5 C36 C49 SING N N 75 PI5 C36 H361 SING N N 76 PI5 C36 H362 SING N N 77 PI5 C37 O38 DOUB N N 78 PI5 C37 N39 SING N N 79 PI5 N39 C40 SING N N 80 PI5 N39 H39 SING N N 81 PI5 C40 C41 SING N N 82 PI5 C40 C43 SING N N 83 PI5 C40 H40 SING N N 84 PI5 C41 O42 DOUB N N 85 PI5 C41 N47 SING N N 86 PI5 C43 C44 SING N N 87 PI5 C43 C45 SING N N 88 PI5 C43 H43 SING N N 89 PI5 C44 C46 SING N N 90 PI5 C44 H441 SING N N 91 PI5 C44 H442 SING N N 92 PI5 C45 H451 SING N N 93 PI5 C45 H452 SING N N 94 PI5 C45 H453 SING N N 95 PI5 C46 H461 SING N N 96 PI5 C46 H462 SING N N 97 PI5 C46 H463 SING N N 98 PI5 N47 C48 SING N N 99 PI5 N47 H47 SING N N 100 PI5 C48 C49 SING N N 101 PI5 C48 H481 SING N N 102 PI5 C48 H482 SING N N 103 PI5 C49 H491 SING N N 104 PI5 C49 H492 SING N N 105 # # 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 PI5 SMILES ACDLabs 10.04 "O=C1N(CCC1)C(C(=O)NC(Cc2ccc(O)cc2)C(O)CNC4C(=O)NC(C(=O)NCCCOc3ccc(cc3)C4)C(C)CC)C(C)C" PI5 SMILES_CANONICAL CACTVS 3.341 "CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(OCCCNC1=O)cc2)NC[C@@H](O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](C(C)C)N4CCCC4=O" PI5 SMILES CACTVS 3.341 "CC[CH](C)[CH]1NC(=O)[CH](Cc2ccc(OCCCNC1=O)cc2)NC[CH](O)[CH](Cc3ccc(O)cc3)NC(=O)[CH](C(C)C)N4CCCC4=O" PI5 SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 "CC[C@H](C)[C@H]1C(=O)NCCCOc2ccc(cc2)C[C@@H](C(=O)N1)NC[C@H]([C@H](Cc3ccc(cc3)O)NC(=O)[C@H](C(C)C)N4CCCC4=O)O" PI5 SMILES "OpenEye OEToolkits" 1.5.0 "CCC(C)C1C(=O)NCCCOc2ccc(cc2)CC(C(=O)N1)NCC(C(Cc3ccc(cc3)O)NC(=O)C(C(C)C)N4CCCC4=O)O" PI5 InChI InChI 1.03 "InChI=1S/C37H53N5O7/c1-5-24(4)33-36(47)38-17-7-19-49-28-15-11-26(12-16-28)21-30(35(46)41-33)39-22-31(44)29(20-25-9-13-27(43)14-10-25)40-37(48)34(23(2)3)42-18-6-8-32(42)45/h9-16,23-24,29-31,33-34,39,43-44H,5-8,17-22H2,1-4H3,(H,38,47)(H,40,48)(H,41,46)/t24-,29-,30-,31+,33-,34-/m0/s1" PI5 InChIKey InChI 1.03 WGWWDGLTNADWNS-HKERLIEGSA-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 PI5 "SYSTEMATIC NAME" ACDLabs 10.04 "(2S)-N-[(1S,2R)-2-hydroxy-1-(4-hydroxybenzyl)-3-{[(8S,11S)-8-[(1S)-1-methylpropyl]-7,10-dioxo-2-oxa-6,9-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]amino}propyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide" PI5 "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "(2S)-N-[(2S,3R)-4-[[(3S,6S)-6-[(2S)-butan-2-yl]-4,7-dioxo-12-oxa-5,8-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-3-yl]amino]-3-hydroxy-1-(4-hydroxyphenyl)butan-2-yl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide" # # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site PI5 "Create component" 1999-07-08 PDBJ PI5 "Modify descriptor" 2011-06-04 RCSB PI5 "Modify synonyms" 2021-03-01 PDBE # _pdbx_chem_comp_synonyms.ordinal 1 _pdbx_chem_comp_synonyms.comp_id PI5 _pdbx_chem_comp_synonyms.name "MACROCYCLIC PEPTIDOMIMETIC INHIBITOR 5" _pdbx_chem_comp_synonyms.provenance ? _pdbx_chem_comp_synonyms.type ? ##