data_0U4 # _chem_comp.id 0U4 _chem_comp.name "N-[(2S,3R)-4-{[2-(1-benzylpiperidin-4-yl)ethyl]amino}-3-hydroxy-1-phenylbutan-2-yl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide" _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "C42 H53 N5 O5 S" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms ? _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2012-06-13 _chem_comp.pdbx_modified_date 2013-05-24 _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 739.966 _chem_comp.one_letter_code ? _chem_comp.three_letter_code 0U4 _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 4FCO _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 0U4 CAV CAV C 0 1 Y N N -19.717 17.033 -5.464 3.220 6.515 0.117 CAV 0U4 1 0U4 CAP CAP C 0 1 Y N N -20.210 16.667 -6.718 1.997 7.154 0.027 CAP 0U4 2 0U4 CAK CAK C 0 1 Y N N -20.593 17.639 -7.641 0.862 6.547 0.529 CAK 0U4 3 0U4 CAQ CAQ C 0 1 Y N N -20.512 19.015 -7.316 0.948 5.300 1.121 CAQ 0U4 4 0U4 CAW CAW C 0 1 Y N N -20.043 19.385 -6.061 2.171 4.661 1.209 CAW 0U4 5 0U4 CBS CBS C 0 1 Y N N -19.641 18.401 -5.142 3.306 5.268 0.708 CBS 0U4 6 0U4 CBU CBU C 0 1 N N R -19.133 18.847 -3.807 4.638 4.569 0.800 CBU 0U4 7 0U4 CAA CAA C 0 1 N N N -17.855 19.671 -3.983 5.214 4.752 2.205 CAA 0U4 8 0U4 NBK NBK N 0 1 N N N -20.143 19.691 -3.145 4.459 3.140 0.528 NBK 0U4 9 0U4 CBM CBM C 0 1 N N N -20.919 19.201 -2.038 5.490 2.409 0.060 CBM 0U4 10 0U4 OAD OAD O 0 1 N N N -20.760 18.091 -1.548 6.569 2.935 -0.136 OAD 0U4 11 0U4 CBQ CBQ C 0 1 Y N N -21.926 20.189 -1.504 5.310 0.967 -0.214 CBQ 0U4 12 0U4 CAX CAX C 0 1 Y N N -21.565 21.528 -1.425 4.074 0.364 0.010 CAX 0U4 13 0U4 CAY CAY C 0 1 Y N N -23.210 19.770 -1.122 6.376 0.211 -0.704 CAY 0U4 14 0U4 CBT CBT C 0 1 Y N N -24.119 20.734 -0.646 6.207 -1.142 -0.962 CBT 0U4 15 0U4 NBY NBY N 0 1 N N N -25.471 20.361 -0.214 7.276 -1.897 -1.453 NBY 0U4 16 0U4 CAB CAB C 0 1 N N N -26.096 21.087 0.870 7.318 -3.343 -1.223 CAB 0U4 17 0U4 SCA SCA S 0 1 N N N -26.262 19.103 -0.964 8.495 -1.156 -2.295 SCA 0U4 18 0U4 CAC CAC C 0 1 N N N -25.978 17.633 -0.039 9.703 -0.690 -1.025 CAC 0U4 19 0U4 OAG OAG O 0 1 N N N -25.746 18.888 -2.312 9.018 -2.182 -3.128 OAG 0U4 20 0U4 OAF OAF O 0 1 N N N -27.699 19.414 -0.940 7.884 -0.000 -2.851 OAF 0U4 21 0U4 CAZ CAZ C 0 1 Y N N -23.770 22.073 -0.549 4.979 -1.747 -0.734 CAZ 0U4 22 0U4 CBR CBR C 0 1 Y N N -22.494 22.463 -0.938 3.908 -0.995 -0.250 CBR 0U4 23 0U4 CBN CBN C 0 1 N N N -22.093 23.876 -0.862 2.599 -1.639 -0.013 CBN 0U4 24 0U4 OAE OAE O 0 1 N N N -22.432 24.626 0.024 2.454 -2.825 -0.240 OAE 0U4 25 0U4 NBL NBL N 0 1 N N N -21.273 24.306 -1.958 1.565 -0.912 0.456 NBL 0U4 26 0U4 CBX CBX C 0 1 N N S -20.753 25.691 -2.026 0.267 -1.550 0.691 CBX 0U4 27 0U4 CBH CBH C 0 1 N N N -19.293 25.459 -2.438 0.257 -2.188 2.081 CBH 0U4 28 0U4 CBO CBO C 0 1 Y N N -18.528 24.326 -1.707 1.266 -3.307 2.128 CBO 0U4 29 0U4 CAR CAR C 0 1 Y N N -17.628 23.502 -2.430 0.890 -4.592 1.783 CAR 0U4 30 0U4 CAL CAL C 0 1 Y N N -16.924 22.487 -1.772 1.816 -5.618 1.826 CAL 0U4 31 0U4 CAI CAI C 0 1 Y N N -17.119 22.289 -0.413 3.117 -5.359 2.213 CAI 0U4 32 0U4 CAM CAM C 0 1 Y N N -18.020 23.115 0.310 3.493 -4.074 2.557 CAM 0U4 33 0U4 CAS CAS C 0 1 Y N N -18.713 24.126 -0.344 2.569 -3.047 2.510 CAS 0U4 34 0U4 CBV CBV C 0 1 N N R -21.408 26.638 -2.995 -0.841 -0.499 0.604 CBV 0U4 35 0U4 OAH OAH O 0 1 N N N -20.720 27.805 -3.153 -0.687 0.445 1.665 OAH 0U4 36 0U4 CBE CBE C 0 1 N N N -22.825 26.971 -2.470 -2.204 -1.184 0.725 CBE 0U4 37 0U4 NBJ NBJ N 0 1 N N N -23.524 27.907 -3.395 -3.270 -0.194 0.523 NBJ 0U4 38 0U4 CBA CBA C 0 1 N N N -24.420 28.817 -2.680 -4.595 -0.817 0.632 CBA 0U4 39 0U4 CBB CBB C 0 1 N N N -25.692 28.221 -2.078 -5.677 0.243 0.416 CBB 0U4 40 0U4 CBW CBW C 0 1 N N N -26.615 29.329 -1.398 -7.058 -0.406 0.530 CBW 0U4 41 0U4 CBD CBD C 0 1 N N N -25.873 29.904 -0.330 -7.248 -1.407 -0.613 CBD 0U4 42 0U4 CBG CBG C 0 1 N N N -26.644 30.980 0.373 -8.653 -2.008 -0.529 CBG 0U4 43 0U4 CBC CBC C 0 1 N N N -27.887 28.761 -0.914 -8.140 0.674 0.438 CBC 0U4 44 0U4 CBF CBF C 0 1 N N N -28.668 29.823 -0.225 -9.519 0.013 0.491 CBF 0U4 45 0U4 NBZ NBZ N 0 1 N N N -27.953 30.532 0.821 -9.652 -0.935 -0.622 NBZ 0U4 46 0U4 CBI CBI C 0 1 N N N -28.889 31.448 1.573 -11.012 -1.487 -0.684 CBI 0U4 47 0U4 CBP CBP C 0 1 Y N N -28.259 31.774 2.932 -11.985 -0.387 -1.024 CBP 0U4 48 0U4 CAT CAT C 0 1 Y N N -28.278 30.832 3.957 -12.574 0.352 -0.014 CAT 0U4 49 0U4 CAN CAN C 0 1 Y N N -27.699 31.130 5.194 -13.466 1.360 -0.326 CAN 0U4 50 0U4 CAJ CAJ C 0 1 Y N N -27.081 32.408 5.400 -13.769 1.631 -1.648 CAJ 0U4 51 0U4 CAO CAO C 0 1 Y N N -27.057 33.350 4.377 -13.181 0.892 -2.657 CAO 0U4 52 0U4 CAU CAU C 0 1 Y N N -27.637 33.053 3.141 -12.285 -0.113 -2.345 CAU 0U4 53 0U4 H1 H1 H 0 1 N N N -19.400 16.282 -4.756 4.107 6.987 -0.279 H1 0U4 54 0U4 H2 H2 H 0 1 N N N -20.295 15.622 -6.975 1.930 8.128 -0.435 H2 0U4 55 0U4 H3 H3 H 0 1 N N N -20.955 17.340 -8.613 -0.093 7.046 0.460 H3 0U4 56 0U4 H4 H4 H 0 1 N N N -20.810 19.766 -8.033 0.061 4.826 1.514 H4 0U4 57 0U4 H5 H5 H 0 1 N N N -19.988 20.429 -5.792 2.238 3.687 1.671 H5 0U4 58 0U4 H6 H6 H 0 1 N N N -18.912 17.968 -3.184 5.324 4.995 0.068 H6 0U4 59 0U4 H7 H7 H 0 1 N N N -17.488 19.995 -2.998 4.529 4.326 2.938 H7 0U4 60 0U4 H8 H8 H 0 1 N N N -17.087 19.056 -4.476 6.178 4.246 2.272 H8 0U4 61 0U4 H9 H9 H 0 1 N N N -18.071 20.554 -4.602 5.347 5.815 2.408 H9 0U4 62 0U4 H10 H10 H 0 1 N N N -20.292 20.624 -3.472 3.599 2.721 0.684 H10 0U4 63 0U4 H11 H11 H 0 1 N N N -20.581 21.847 -1.735 3.247 0.948 0.385 H11 0U4 64 0U4 H12 H12 H 0 1 N N N -23.495 18.730 -1.192 7.332 0.679 -0.882 H12 0U4 65 0U4 H13 H13 H 0 1 N N N -25.414 21.873 1.226 6.817 -3.856 -2.043 H13 0U4 66 0U4 H14 H14 H 0 1 N N N -27.030 21.545 0.513 8.356 -3.672 -1.169 H14 0U4 67 0U4 H15 H15 H 0 1 N N N -26.319 20.394 1.695 6.813 -3.576 -0.285 H15 0U4 68 0U4 H16 H16 H 0 1 N N N -26.357 17.764 0.985 9.235 -0.015 -0.309 H16 0U4 69 0U4 H17 H17 H 0 1 N N N -26.500 16.792 -0.518 10.051 -1.584 -0.508 H17 0U4 70 0U4 H18 H18 H 0 1 N N N -24.899 17.424 -0.006 10.550 -0.190 -1.495 H18 0U4 71 0U4 H19 H19 H 0 1 N N N -24.477 22.800 -0.178 4.851 -2.800 -0.936 H19 0U4 72 0U4 H20 H20 H 0 1 N N N -21.049 23.660 -2.688 1.680 0.034 0.637 H20 0U4 73 0U4 H21 H21 H 0 1 N N N -20.769 26.137 -1.021 0.099 -2.319 -0.063 H21 0U4 74 0U4 H22 H22 H 0 1 N N N -19.284 25.226 -3.513 0.514 -1.437 2.828 H22 0U4 75 0U4 H23 H23 H 0 1 N N N -18.745 26.397 -2.262 -0.736 -2.586 2.292 H23 0U4 76 0U4 H24 H24 H 0 1 N N N -17.486 23.658 -3.489 -0.127 -4.794 1.481 H24 0U4 77 0U4 H25 H25 H 0 1 N N N -16.233 21.862 -2.319 1.522 -6.622 1.557 H25 0U4 78 0U4 H26 H26 H 0 1 N N N -16.583 21.503 0.098 3.840 -6.161 2.247 H26 0U4 79 0U4 H27 H27 H 0 1 N N N -18.166 22.957 1.368 4.510 -3.872 2.859 H27 0U4 80 0U4 H28 H28 H 0 1 N N N -19.395 24.756 0.207 2.864 -2.043 2.775 H28 0U4 81 0U4 H29 H29 H 0 1 N N N -21.518 26.124 -3.962 -0.778 0.017 -0.354 H29 0U4 82 0U4 H30 H30 H 0 1 N N N -19.846 27.617 -3.475 -0.732 0.054 2.549 H30 0U4 83 0U4 H31 H31 H 0 1 N N N -22.742 27.439 -1.478 -2.286 -1.966 -0.030 H31 0U4 84 0U4 H32 H32 H 0 1 N N N -23.408 26.041 -2.389 -2.302 -1.625 1.717 H32 0U4 85 0U4 H33 H33 H 0 1 N N N -24.060 27.374 -4.049 -3.163 0.276 -0.364 H33 0U4 86 0U4 H35 H35 H 0 1 N N N -23.845 29.268 -1.857 -4.694 -1.596 -0.123 H35 0U4 87 0U4 H36 H36 H 0 1 N N N -24.726 29.602 -3.387 -4.710 -1.256 1.623 H36 0U4 88 0U4 H37 H37 H 0 1 N N N -26.263 27.726 -2.877 -5.578 1.023 1.171 H37 0U4 89 0U4 H38 H38 H 0 1 N N N -25.409 27.480 -1.316 -5.562 0.682 -0.576 H38 0U4 90 0U4 H39 H39 H 0 1 N N N -26.829 30.095 -2.158 -7.139 -0.923 1.486 H39 0U4 91 0U4 H40 H40 H 0 1 N N N -25.623 29.115 0.394 -7.128 -0.896 -1.568 H40 0U4 92 0U4 H41 H41 H 0 1 N N N -24.946 30.337 -0.734 -6.507 -2.202 -0.528 H41 0U4 93 0U4 H42 H42 H 0 1 N N N -26.067 31.311 1.249 -8.797 -2.711 -1.349 H42 0U4 94 0U4 H43 H43 H 0 1 N N N -26.779 31.825 -0.318 -8.769 -2.530 0.421 H43 0U4 95 0U4 H44 H44 H 0 1 N N N -28.465 28.374 -1.766 -8.035 1.366 1.273 H44 0U4 96 0U4 H45 H45 H 0 1 N N N -27.679 27.942 -0.210 -8.033 1.217 -0.501 H45 0U4 97 0U4 H46 H46 H 0 1 N N N -28.984 30.558 -0.980 -9.630 -0.519 1.436 H46 0U4 98 0U4 H47 H47 H 0 1 N N N -29.556 29.355 0.226 -10.292 0.777 0.412 H47 0U4 99 0U4 H49 H49 H 0 1 N N N -29.040 32.376 1.001 -11.056 -2.260 -1.451 H49 0U4 100 0U4 H50 H50 H 0 1 N N N -29.857 30.948 1.723 -11.274 -1.918 0.282 H50 0U4 101 0U4 H51 H51 H 0 1 N N N -28.741 29.870 3.796 -12.337 0.140 1.018 H51 0U4 102 0U4 H52 H52 H 0 1 N N N -27.717 30.401 5.991 -13.926 1.937 0.462 H52 0U4 103 0U4 H53 H53 H 0 1 N N N -26.632 32.640 6.354 -14.467 2.418 -1.891 H53 0U4 104 0U4 H54 H54 H 0 1 N N N -26.590 34.311 4.538 -13.418 1.103 -3.689 H54 0U4 105 0U4 H55 H55 H 0 1 N N N -27.618 33.782 2.345 -11.821 -0.688 -3.134 H55 0U4 106 # 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 0U4 CAK CAQ DOUB Y N 1 0U4 CAK CAP SING Y N 2 0U4 CAQ CAW SING Y N 3 0U4 CAP CAV DOUB Y N 4 0U4 CAW CBS DOUB Y N 5 0U4 CAV CBS SING Y N 6 0U4 CBS CBU SING N N 7 0U4 CAA CBU SING N N 8 0U4 CBU NBK SING N N 9 0U4 NBJ CBA SING N N 10 0U4 NBJ CBE SING N N 11 0U4 OAH CBV SING N N 12 0U4 NBK CBM SING N N 13 0U4 CBV CBE SING N N 14 0U4 CBV CBX SING N N 15 0U4 CBA CBB SING N N 16 0U4 CBH CBX SING N N 17 0U4 CBH CBO SING N N 18 0U4 CAR CAL DOUB Y N 19 0U4 CAR CBO SING Y N 20 0U4 OAG SCA DOUB N N 21 0U4 CBB CBW SING N N 22 0U4 CBM OAD DOUB N N 23 0U4 CBM CBQ SING N N 24 0U4 CBX NBL SING N N 25 0U4 NBL CBN SING N N 26 0U4 CAL CAI SING Y N 27 0U4 CBO CAS DOUB Y N 28 0U4 CBQ CAX DOUB Y N 29 0U4 CBQ CAY SING Y N 30 0U4 CAX CBR SING Y N 31 0U4 CBW CBC SING N N 32 0U4 CBW CBD SING N N 33 0U4 CAY CBT DOUB Y N 34 0U4 SCA OAF DOUB N N 35 0U4 SCA NBY SING N N 36 0U4 SCA CAC SING N N 37 0U4 CBR CBN SING N N 38 0U4 CBR CAZ DOUB Y N 39 0U4 CBC CBF SING N N 40 0U4 CBN OAE DOUB N N 41 0U4 CBT CAZ SING Y N 42 0U4 CBT NBY SING N N 43 0U4 CAI CAM DOUB Y N 44 0U4 CAS CAM SING Y N 45 0U4 CBD CBG SING N N 46 0U4 CBF NBZ SING N N 47 0U4 NBY CAB SING N N 48 0U4 CBG NBZ SING N N 49 0U4 NBZ CBI SING N N 50 0U4 CBI CBP SING N N 51 0U4 CBP CAU DOUB Y N 52 0U4 CBP CAT SING Y N 53 0U4 CAU CAO SING Y N 54 0U4 CAT CAN DOUB Y N 55 0U4 CAO CAJ DOUB Y N 56 0U4 CAN CAJ SING Y N 57 0U4 CAV H1 SING N N 58 0U4 CAP H2 SING N N 59 0U4 CAK H3 SING N N 60 0U4 CAQ H4 SING N N 61 0U4 CAW H5 SING N N 62 0U4 CBU H6 SING N N 63 0U4 CAA H7 SING N N 64 0U4 CAA H8 SING N N 65 0U4 CAA H9 SING N N 66 0U4 NBK H10 SING N N 67 0U4 CAX H11 SING N N 68 0U4 CAY H12 SING N N 69 0U4 CAB H13 SING N N 70 0U4 CAB H14 SING N N 71 0U4 CAB H15 SING N N 72 0U4 CAC H16 SING N N 73 0U4 CAC H17 SING N N 74 0U4 CAC H18 SING N N 75 0U4 CAZ H19 SING N N 76 0U4 NBL H20 SING N N 77 0U4 CBX H21 SING N N 78 0U4 CBH H22 SING N N 79 0U4 CBH H23 SING N N 80 0U4 CAR H24 SING N N 81 0U4 CAL H25 SING N N 82 0U4 CAI H26 SING N N 83 0U4 CAM H27 SING N N 84 0U4 CAS H28 SING N N 85 0U4 CBV H29 SING N N 86 0U4 OAH H30 SING N N 87 0U4 CBE H31 SING N N 88 0U4 CBE H32 SING N N 89 0U4 NBJ H33 SING N N 90 0U4 CBA H35 SING N N 91 0U4 CBA H36 SING N N 92 0U4 CBB H37 SING N N 93 0U4 CBB H38 SING N N 94 0U4 CBW H39 SING N N 95 0U4 CBD H40 SING N N 96 0U4 CBD H41 SING N N 97 0U4 CBG H42 SING N N 98 0U4 CBG H43 SING N N 99 0U4 CBC H44 SING N N 100 0U4 CBC H45 SING N N 101 0U4 CBF H46 SING N N 102 0U4 CBF H47 SING N N 103 0U4 CBI H49 SING N N 104 0U4 CBI H50 SING N N 105 0U4 CAT H51 SING N N 106 0U4 CAN H52 SING N N 107 0U4 CAJ H53 SING N N 108 0U4 CAO H54 SING N N 109 0U4 CAU H55 SING N N 110 # 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 0U4 SMILES ACDLabs 12.01 "O=S(=O)(N(c2cc(C(=O)NC(c1ccccc1)C)cc(c2)C(=O)NC(Cc3ccccc3)C(O)CNCCC5CCN(Cc4ccccc4)CC5)C)C" 0U4 InChI InChI 1.03 ;InChI=1S/C42H53N5O5S/c1-31(35-17-11-6-12-18-35)44-41(49)36-26-37(28-38(27-36)46(2)53(3,51)52)42(50)45-39(25-33-13-7-4-8-14-33)40(48)29-43-22-19-32-20-23-47(24-21-32)30-34-15-9-5-10-16-34/h4-18,26-28,31-32,39-40,43,48H,19-25,29-30H2,1-3H3,(H,44,49)(H,45,50)/t31-,39+,40-/m1/s1 ; 0U4 InChIKey InChI 1.03 IMNAYTZSJCRZIO-RLRCJDGOSA-N 0U4 SMILES_CANONICAL CACTVS 3.370 "C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNCCC3CCN(CC3)Cc4ccccc4)N(C)[S](C)(=O)=O)c5ccccc5" 0U4 SMILES CACTVS 3.370 "C[CH](NC(=O)c1cc(cc(c1)C(=O)N[CH](Cc2ccccc2)[CH](O)CNCCC3CCN(CC3)Cc4ccccc4)N(C)[S](C)(=O)=O)c5ccccc5" 0U4 SMILES_CANONICAL "OpenEye OEToolkits" 1.7.6 "C[C@H](c1ccccc1)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNCCC4CCN(CC4)Cc5ccccc5)O" 0U4 SMILES "OpenEye OEToolkits" 1.7.6 "CC(c1ccccc1)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)NC(Cc3ccccc3)C(CNCCC4CCN(CC4)Cc5ccccc5)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 0U4 "SYSTEMATIC NAME" ACDLabs 12.01 "N-[(2S,3R)-4-{[2-(1-benzylpiperidin-4-yl)ethyl]amino}-3-hydroxy-1-phenylbutan-2-yl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide" 0U4 "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.7.6 "5-[methyl(methylsulfonyl)amino]-N3-[(2S,3R)-3-oxidanyl-1-phenyl-4-[2-[1-(phenylmethyl)piperidin-4-yl]ethylamino]butan-2-yl]-N1-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide" # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site 0U4 "Create component" 2012-06-13 RCSB 0U4 "Initial release" 2013-05-29 RCSB #