data_5BG
# 
_chem_comp.id                                    5BG 
_chem_comp.name                                  "{3-[(1R)-1-[({(2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl]piperidin-2-yl}carbonyl)amino]-3-(3,4-dimethoxyphenyl)propyl]phenoxy}acetic acid" 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C42 H54 N2 O10" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2015-09-02 
_chem_comp.pdbx_modified_date                    2016-03-18 
_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                        746.886 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     5BG 
_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        5DIU 
_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 
5BG CAC C1  C 0 1 N N N 17.123 -4.518  -8.295  -7.335 3.551  -0.727 CAC 5BG 1   
5BG OBH O1  O 0 1 N N N 16.450 -5.220  -7.252  -7.303 2.727  0.440  OBH 5BG 2   
5BG CBU C2  C 0 1 Y N N 15.324 -5.877  -7.543  -6.248 1.879  0.568  CBU 5BG 3   
5BG CAQ C3  C 0 1 Y N N 14.731 -5.833  -8.828  -5.262 1.845  -0.407 CAQ 5BG 4   
5BG CBW C4  C 0 1 Y N N 14.749 -6.636  -6.588  -6.154 1.048  1.678  CBW 5BG 5   
5BG OBJ O2  O 0 1 N N N 15.286 -6.643  -5.255  -7.117 1.082  2.639  OBJ 5BG 6   
5BG CAE C5  C 0 1 N N N 16.358 -7.546  -5.145  -8.226 0.196  2.478  CAE 5BG 7   
5BG CBV C6  C 0 1 Y N N 13.608 -7.325  -6.799  -5.074 0.183  1.804  CBV 5BG 8   
5BG OBI O3  O 0 1 N N N 13.057 -8.064  -5.739  -4.977 -0.632 2.889  OBI 5BG 9   
5BG CAD C7  C 0 1 N N N 11.723 -8.634  -5.837  -3.840 -1.495 2.952  CAD 5BG 10  
5BG CAR C8  C 0 1 Y N N 12.978 -7.331  -8.045  -4.095 0.151  0.823  CAR 5BG 11  
5BG CBR C9  C 0 1 Y N N 13.548 -6.553  -9.041  -4.189 0.983  -0.278 CBR 5BG 12  
5BG CCA C10 C 0 1 N N S 12.858 -6.523  -10.419 -3.120 0.949  -1.339 CCA 5BG 13  
5BG CBY C11 C 0 1 N N N 13.689 -7.178  -11.544 -3.043 -0.455 -1.941 CBY 5BG 14  
5BG CAY C12 C 0 1 N N N 14.255 -8.506  -11.141 -4.430 -0.877 -2.430 CAY 5BG 15  
5BG CAT C13 C 0 1 N N N 15.008 -9.257  -12.255 -4.353 -2.282 -3.032 CAT 5BG 16  
5BG CAS C14 C 0 1 N N N 14.134 -9.318  -13.555 -3.377 -2.279 -4.210 CAS 5BG 17  
5BG CAU C15 C 0 1 N N N 13.663 -7.977  -13.979 -1.990 -1.856 -3.721 CAU 5BG 18  
5BG CAZ C16 C 0 1 N N N 12.905 -7.278  -12.823 -2.067 -0.452 -3.119 CAZ 5BG 19  
5BG CBN C17 C 0 1 N N N 12.554 -5.078  -10.764 -1.791 1.306  -0.725 CBN 5BG 20  
5BG OAH O4  O 0 1 N N N 13.252 -4.397  -11.492 -1.058 0.431  -0.316 OAH 5BG 21  
5BG N   N1  N 0 1 N N N 11.450 -4.488  -10.165 -1.418 2.598  -0.629 N   5BG 22  
5BG CBD C18 C 0 1 N N N 10.597 -5.172  -9.139  -2.326 3.673  -1.052 CBD 5BG 23  
5BG CAW C19 C 0 1 N N N 9.147  -4.857  -9.314  -2.484 4.667  0.102  CAW 5BG 24  
5BG CAV C20 C 0 1 N N N 8.842  -3.348  -9.466  -1.102 5.151  0.547  CAV 5BG 25  
5BG CB  C21 C 0 1 N N N 9.697  -2.804  -10.592 -0.279 3.960  1.044  CB  5BG 26  
5BG CA  C22 C 0 1 N N S 11.210 -3.067  -10.386 -0.098 2.958  -0.094 CA  5BG 27  
5BG C   C23 C 0 1 N N N 11.670 -2.153  -9.213  0.592  1.723  0.425  C   5BG 28  
5BG O   O5  O 0 1 N N N 11.244 -1.035  -9.150  0.120  1.112  1.360  O   5BG 29  
5BG NBE N2  N 0 1 N N N 12.559 -2.707  -8.373  1.735  1.298  -0.149 NBE 5BG 30  
5BG CBX C24 C 0 1 N N R 12.947 -1.962  -7.120  2.407  0.098  0.356  CBX 5BG 31  
5BG CBQ C25 C 0 1 Y N N 12.185 -2.568  -6.025  1.800  -1.124 -0.285 CBQ 5BG 32  
5BG CAP C26 C 0 1 Y N N 11.151 -1.858  -5.464  1.581  -2.261 0.468  CAP 5BG 33  
5BG CAL C27 C 0 1 Y N N 12.318 -3.893  -5.722  1.459  -1.104 -1.624 CAL 5BG 34  
5BG CAJ C28 C 0 1 Y N N 11.543 -4.582  -4.809  0.901  -2.223 -2.215 CAJ 5BG 35  
5BG CAK C29 C 0 1 Y N N 10.526 -3.833  -4.213  0.684  -3.364 -1.468 CAK 5BG 36  
5BG CBP C30 C 0 1 Y N N 10.311 -2.506  -4.497  1.022  -3.385 -0.122 CBP 5BG 37  
5BG OBK O6  O 0 1 N N N 9.282  -1.715  -3.978  0.806  -4.506 0.616  OBK 5BG 38  
5BG CBC C31 C 0 1 N N N 8.353  -2.315  -3.073  0.228  -5.625 -0.058 CBC 5BG 39  
5BG CBL C32 C 0 1 N N N 8.997  -2.608  -1.710  0.064  -6.766 0.913  CBL 5BG 40  
5BG OAI O7  O 0 1 N N N 8.367  -3.433  -1.060  -0.464 -7.929 0.500  OAI 5BG 41  
5BG OAF O8  O 0 1 N N N 10.068 -2.072  -1.419  0.407  -6.634 2.064  OAF 5BG 42  
5BG CBA C33 C 0 1 N N N 14.440 -2.007  -6.938  3.897  0.166  0.016  CBA 5BG 43  
5BG CAX C34 C 0 1 N N N 14.871 -0.873  -5.937  4.538  1.334  0.767  CAX 5BG 44  
5BG CBO C35 C 0 1 Y N N 14.746 0.444   -6.466  6.006  1.401  0.432  CBO 5BG 45  
5BG CAO C36 C 0 1 Y N N 15.601 0.870   -7.495  6.921  0.701  1.197  CAO 5BG 46  
5BG CAM C37 C 0 1 Y N N 13.741 1.355   -6.067  6.435  2.157  -0.643 CAM 5BG 47  
5BG CAN C38 C 0 1 Y N N 13.596 2.610   -6.578  7.780  2.221  -0.955 CAN 5BG 48  
5BG CBS C39 C 0 1 Y N N 14.473 3.052   -7.614  8.703  1.527  -0.189 CBS 5BG 49  
5BG OBF O9  O 0 1 N N N 14.415 4.298   -8.191  10.026 1.590  -0.494 OBF 5BG 50  
5BG CAA C40 C 0 1 N N N 13.515 5.276   -7.712  10.396 2.390  -1.618 CAA 5BG 51  
5BG CBT C41 C 0 1 Y N N 15.403 2.153   -8.011  8.270  0.757  0.887  CBT 5BG 52  
5BG OBG O10 O 0 1 N N N 16.084 2.717   -9.110  9.172  0.074  1.642  OBG 5BG 53  
5BG CAB C42 C 0 1 N N N 17.221 1.974   -9.525  8.656  -0.695 2.730  CAB 5BG 54  
5BG H1  H1  H 0 1 N N N 18.025 -4.035  -7.890  -6.447 4.183  -0.751 H1  5BG 55  
5BG H2  H2  H 0 1 N N N 17.410 -5.225  -9.087  -7.357 2.921  -1.617 H2  5BG 56  
5BG H3  H3  H 0 1 N N N 16.453 -3.752  -8.713  -8.226 4.179  -0.705 H3  5BG 57  
5BG H4  H4  H 0 1 N N N 15.180 -5.258  -9.625  -5.333 2.493  -1.268 H4  5BG 58  
5BG H5  H5  H 0 1 N N N 16.748 -7.530  -4.116  -7.868 -0.834 2.458  H5  5BG 59  
5BG H6  H6  H 0 1 N N N 16.009 -8.560  -5.389  -8.918 0.324  3.311  H6  5BG 60  
5BG H7  H7  H 0 1 N N N 17.156 -7.255  -5.844  -8.738 0.421  1.542  H7  5BG 61  
5BG H8  H8  H 0 1 N N N 11.483 -9.170  -4.907  -2.929 -0.897 2.954  H8  5BG 62  
5BG H9  H9  H 0 1 N N N 10.991 -7.828  -5.995  -3.885 -2.089 3.865  H9  5BG 63  
5BG H10 H10 H 0 1 N N N 11.685 -9.335  -6.684  -3.838 -2.158 2.087  H10 5BG 64  
5BG H11 H11 H 0 1 N N N 12.087 -7.915  -8.225  -3.255 -0.521 0.920  H11 5BG 65  
5BG H12 H12 H 0 1 N N N 11.906 -7.068  -10.337 -3.363 1.668  -2.122 H12 5BG 66  
5BG H13 H13 H 0 1 N N N 14.540 -6.508  -11.738 -2.696 -1.157 -1.183 H13 5BG 67  
5BG H14 H14 H 0 1 N N N 13.424 -9.142  -10.802 -5.126 -0.880 -1.590 H14 5BG 68  
5BG H15 H15 H 0 1 N N N 14.954 -8.341  -10.308 -4.778 -0.176 -3.188 H15 5BG 69  
5BG H16 H16 H 0 1 N N N 15.229 -10.280 -11.918 -4.006 -2.984 -2.274 H16 5BG 70  
5BG H17 H17 H 0 1 N N N 15.949 -8.732  -12.475 -5.341 -2.583 -3.380 H17 5BG 71  
5BG H18 H18 H 0 1 N N N 13.259 -9.956  -13.363 -3.322 -3.279 -4.639 H18 5BG 72  
5BG H19 H19 H 0 1 N N N 14.736 -9.754  -14.366 -3.724 -1.577 -4.968 H19 5BG 73  
5BG H20 H20 H 0 1 N N N 14.529 -7.363  -14.267 -1.642 -2.558 -2.963 H20 5BG 74  
5BG H21 H21 H 0 1 N N N 12.988 -8.086  -14.841 -1.294 -1.854 -4.560 H21 5BG 75  
5BG H22 H22 H 0 1 N N N 12.643 -6.260  -13.148 -2.414 0.250  -3.877 H22 5BG 76  
5BG H23 H23 H 0 1 N N N 11.985 -7.846  -12.620 -1.079 -0.151 -2.771 H23 5BG 77  
5BG H24 H24 H 0 1 N N N 10.737 -6.259  -9.229  -1.908 4.183  -1.920 H24 5BG 78  
5BG H25 H25 H 0 1 N N N 10.913 -4.843  -8.138  -3.297 3.250  -1.309 H25 5BG 79  
5BG H26 H26 H 0 1 N N N 8.603  -5.232  -8.434  -3.078 5.519  -0.231 H26 5BG 80  
5BG H27 H27 H 0 1 N N N 8.787  -5.375  -10.216 -2.985 4.179  0.937  H27 5BG 81  
5BG H28 H28 H 0 1 N N N 9.082  -2.823  -8.529  -0.592 5.618  -0.296 H28 5BG 82  
5BG H29 H29 H 0 1 N N N 7.778  -3.205  -9.704  -1.213 5.877  1.352  H29 5BG 83  
5BG H30 H30 H 0 1 N N N 9.536  -1.718  -10.661 0.697  4.306  1.383  H30 5BG 84  
5BG H31 H31 H 0 1 N N N 9.383  -3.281  -11.532 -0.803 3.481  1.871  H31 5BG 85  
5BG H32 H32 H 0 1 N N N 11.740 -2.746  -11.295 0.501  3.408  -0.886 H32 5BG 86  
5BG H33 H33 H 0 1 N N N 12.958 -3.601  -8.575  2.114  1.787  -0.896 H33 5BG 87  
5BG H34 H34 H 0 1 N N N 12.641 -0.911  -7.231  2.283  0.040  1.438  H34 5BG 88  
5BG H35 H35 H 0 1 N N N 10.973 -0.831  -5.746  1.844  -2.275 1.515  H35 5BG 89  
5BG H36 H36 H 0 1 N N N 13.090 -4.446  -6.237  1.627  -0.212 -2.210 H36 5BG 90  
5BG H37 H37 H 0 1 N N N 11.711 -5.623  -4.574  0.635  -2.204 -3.261 H37 5BG 91  
5BG H38 H38 H 0 1 N N N 9.880  -4.319  -3.497  0.248  -4.238 -1.929 H38 5BG 92  
5BG H39 H39 H 0 1 N N N 7.505  -1.630  -2.927  -0.747 -5.345 -0.457 H39 5BG 93  
5BG H40 H40 H 0 1 N N N 7.992  -3.259  -3.507  0.880  -5.934 -0.874 H40 5BG 94  
5BG H41 H41 H 0 1 N N N 8.831  -3.623  -0.253  -0.549 -8.631 1.158  H41 5BG 95  
5BG H42 H42 H 0 1 N N N 14.732 -2.987  -6.532  4.380  -0.766 0.312  H42 5BG 96  
5BG H43 H43 H 0 1 N N N 14.934 -1.849  -7.908  4.018  0.313  -1.057 H43 5BG 97  
5BG H44 H44 H 0 1 N N N 14.240 -0.946  -5.039  4.056  2.266  0.470  H44 5BG 98  
5BG H45 H45 H 0 1 N N N 15.923 -1.037  -5.661  4.417  1.187  1.840  H45 5BG 99  
5BG H46 H46 H 0 1 N N N 16.383 0.229   -7.874  6.584  0.112  2.036  H46 5BG 100 
5BG H47 H47 H 0 1 N N N 13.043 1.035   -5.308  5.717  2.699  -1.241 H47 5BG 101 
5BG H48 H48 H 0 1 N N N 12.824 3.265   -6.202  8.112  2.812  -1.796 H48 5BG 102 
5BG H49 H49 H 0 1 N N N 13.624 6.197   -8.304  9.907  2.007  -2.514 H49 5BG 103 
5BG H50 H50 H 0 1 N N N 12.485 4.902   -7.803  10.086 3.421  -1.447 H50 5BG 104 
5BG H51 H51 H 0 1 N N N 13.735 5.491   -6.656  11.477 2.353  -1.750 H51 5BG 105 
5BG H52 H52 H 0 1 N N N 17.695 2.476   -10.382 9.478  -1.188 3.248  H52 5BG 106 
5BG H53 H53 H 0 1 N N N 17.940 1.909   -8.695  8.131  -0.038 3.423  H53 5BG 107 
5BG H54 H54 H 0 1 N N N 16.909 0.961   -9.820  7.965  -1.447 2.348  H54 5BG 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 
5BG CAU CAS SING N N 1   
5BG CAU CAZ SING N N 2   
5BG CAS CAT SING N N 3   
5BG CAZ CBY SING N N 4   
5BG CAT CAY SING N N 5   
5BG CBY CAY SING N N 6   
5BG CBY CCA SING N N 7   
5BG OAH CBN DOUB N N 8   
5BG CBN CCA SING N N 9   
5BG CBN N   SING N N 10  
5BG CB  CA  SING N N 11  
5BG CB  CAV SING N N 12  
5BG CCA CBR SING N N 13  
5BG CA  N   SING N N 14  
5BG CA  C   SING N N 15  
5BG N   CBD SING N N 16  
5BG CAB OBG SING N N 17  
5BG CAV CAW SING N N 18  
5BG CAW CBD SING N N 19  
5BG C   O   DOUB N N 20  
5BG C   NBE SING N N 21  
5BG OBG CBT SING N N 22  
5BG CBR CAQ DOUB Y N 23  
5BG CBR CAR SING Y N 24  
5BG CAQ CBU SING Y N 25  
5BG NBE CBX SING N N 26  
5BG CAC OBH SING N N 27  
5BG OBF CAA SING N N 28  
5BG OBF CBS SING N N 29  
5BG CAR CBV DOUB Y N 30  
5BG CBT CBS DOUB Y N 31  
5BG CBT CAO SING Y N 32  
5BG CBS CAN SING Y N 33  
5BG CBU OBH SING N N 34  
5BG CBU CBW DOUB Y N 35  
5BG CAO CBO DOUB Y N 36  
5BG CBX CBA SING N N 37  
5BG CBX CBQ SING N N 38  
5BG CBA CAX SING N N 39  
5BG CBV CBW SING Y N 40  
5BG CBV OBI SING N N 41  
5BG CBW OBJ SING N N 42  
5BG CAN CAM DOUB Y N 43  
5BG CBO CAM SING Y N 44  
5BG CBO CAX SING N N 45  
5BG CBQ CAL DOUB Y N 46  
5BG CBQ CAP SING Y N 47  
5BG CAD OBI SING N N 48  
5BG CAL CAJ SING Y N 49  
5BG CAP CBP DOUB Y N 50  
5BG OBJ CAE SING N N 51  
5BG CAJ CAK DOUB Y N 52  
5BG CBP CAK SING Y N 53  
5BG CBP OBK SING N N 54  
5BG OBK CBC SING N N 55  
5BG CBC CBL SING N N 56  
5BG CBL OAF DOUB N N 57  
5BG CBL OAI SING N N 58  
5BG CAC H1  SING N N 59  
5BG CAC H2  SING N N 60  
5BG CAC H3  SING N N 61  
5BG CAQ H4  SING N N 62  
5BG CAE H5  SING N N 63  
5BG CAE H6  SING N N 64  
5BG CAE H7  SING N N 65  
5BG CAD H8  SING N N 66  
5BG CAD H9  SING N N 67  
5BG CAD H10 SING N N 68  
5BG CAR H11 SING N N 69  
5BG CCA H12 SING N N 70  
5BG CBY H13 SING N N 71  
5BG CAY H14 SING N N 72  
5BG CAY H15 SING N N 73  
5BG CAT H16 SING N N 74  
5BG CAT H17 SING N N 75  
5BG CAS H18 SING N N 76  
5BG CAS H19 SING N N 77  
5BG CAU H20 SING N N 78  
5BG CAU H21 SING N N 79  
5BG CAZ H22 SING N N 80  
5BG CAZ H23 SING N N 81  
5BG CBD H24 SING N N 82  
5BG CBD H25 SING N N 83  
5BG CAW H26 SING N N 84  
5BG CAW H27 SING N N 85  
5BG CAV H28 SING N N 86  
5BG CAV H29 SING N N 87  
5BG CB  H30 SING N N 88  
5BG CB  H31 SING N N 89  
5BG CA  H32 SING N N 90  
5BG NBE H33 SING N N 91  
5BG CBX H34 SING N N 92  
5BG CAP H35 SING N N 93  
5BG CAL H36 SING N N 94  
5BG CAJ H37 SING N N 95  
5BG CAK H38 SING N N 96  
5BG CBC H39 SING N N 97  
5BG CBC H40 SING N N 98  
5BG OAI H41 SING N N 99  
5BG CBA H42 SING N N 100 
5BG CBA H43 SING N N 101 
5BG CAX H44 SING N N 102 
5BG CAX H45 SING N N 103 
5BG CAO H46 SING N N 104 
5BG CAM H47 SING N N 105 
5BG CAN H48 SING N N 106 
5BG CAA H49 SING N N 107 
5BG CAA H50 SING N N 108 
5BG CAA H51 SING N N 109 
5BG CAB H52 SING N N 110 
5BG CAB H53 SING N N 111 
5BG CAB H54 SING N N 112 
# 
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 
5BG SMILES           ACDLabs              12.01 "COc1c(OC)c(OC)cc(c1)C(C2CCCCC2)C(N3CCCCC3C(=O)NC(CCc4ccc(OC)c(c4)OC)c5cccc(c5)OCC(=O)O)=O" 
5BG InChI            InChI                1.03  
;InChI=1S/C42H54N2O10/c1-49-34-20-18-27(22-35(34)50-2)17-19-32(29-14-11-15-31(23-29)54-26-38(45)46)43-41(47)33-16-9-10-21-44(33)42(48)39(28-12-7-6-8-13-28)30-24-36(51-3)40(53-5)37(25-30)52-4/h11,14-15,18,20,22-25,28,32-33,39H,6-10,12-13,16-17,19,21,26H2,1-5H3,(H,43,47)(H,45,46)/t32-,33+,39+/m1/s1
;
5BG InChIKey         InChI                1.03  HVSNNDISDMAIJE-XEAFTEEUSA-N 
5BG SMILES_CANONICAL CACTVS               3.385 "COc1ccc(CC[C@@H](NC(=O)[C@@H]2CCCCN2C(=O)[C@@H](C3CCCCC3)c4cc(OC)c(OC)c(OC)c4)c5cccc(OCC(O)=O)c5)cc1OC" 
5BG SMILES           CACTVS               3.385 "COc1ccc(CC[CH](NC(=O)[CH]2CCCCN2C(=O)[CH](C3CCCCC3)c4cc(OC)c(OC)c(OC)c4)c5cccc(OCC(O)=O)c5)cc1OC" 
5BG SMILES_CANONICAL "OpenEye OEToolkits" 1.9.2 "COc1ccc(cc1OC)CC[C@H](c2cccc(c2)OCC(=O)O)NC(=O)[C@@H]3CCCCN3C(=O)[C@H](c4cc(c(c(c4)OC)OC)OC)C5CCCCC5" 
5BG SMILES           "OpenEye OEToolkits" 1.9.2 "COc1ccc(cc1OC)CCC(c2cccc(c2)OCC(=O)O)NC(=O)C3CCCCN3C(=O)C(c4cc(c(c(c4)OC)OC)OC)C5CCCCC5" 
# 
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 
5BG "SYSTEMATIC NAME" ACDLabs              12.01 "{3-[(1R)-1-[({(2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl]piperidin-2-yl}carbonyl)amino]-3-(3,4-dimethoxyphenyl)propyl]phenoxy}acetic acid"     
5BG "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.9.2 "2-[3-[(1R)-1-[[(2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidin-2-yl]carbonylamino]-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid" 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
5BG "Create component" 2015-09-02 RCSB 
5BG "Initial release"  2016-03-23 RCSB 
# 
