data_ROC
# 
_chem_comp.id                                    ROC 
_chem_comp.name                                  N~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)-3-(tert-butylcarbamoyl)octahydroisoquinolin-2(1H)-yl]-2-hydroxypropyl}-N~2~-(quinolin-2-ylcarbonyl)-L-aspartamide 
_chem_comp.type                                  peptide-like 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C38 H50 N6 O5" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         "Fortovase; SAQUINAVIR" 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2000-01-04 
_chem_comp.pdbx_modified_date                    2009-02-17
_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                        670.841 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     ROC 
_chem_comp.pdbx_model_coordinates_details        "not provided" 
_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        1HXB 
_chem_comp.pdbx_subcomponent_list                "QNC DSG HPH DIQ NTB" 
_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 
ROC O    O1  O 0 1 N N N 20.168 -3.421 6.080  4.503  -1.821 -1.419 O    QNC 1  
ROC C    C1  C 0 1 N N N 19.026 -3.599 6.516  4.646  -1.202 -0.383 C    QNC 2  
ROC N1   N1  N 0 1 Y N N 17.031 -4.817 6.879  6.016  0.261  0.970  N1   QNC 3  
ROC C2   C2  C 0 1 Y N N 18.340 -4.818 6.514  5.877  -0.406 -0.159 C2   QNC 4  
ROC C3   C3  C 0 1 Y N N 18.970 -6.034 6.225  6.867  -0.381 -1.152 C3   QNC 5  
ROC C4   C4  C 0 1 Y N N 18.240 -7.219 6.333  8.005  0.348  -0.958 C4   QNC 6  
ROC C4A  C5  C 0 1 Y N N 16.898 -7.166 6.721  8.144  1.057  0.250  C4A  QNC 7  
ROC C5   C6  C 0 1 Y N N 16.146 -8.333 6.845  9.288  1.826  0.516  C5   QNC 8  
ROC C6   C7  C 0 1 Y N N 14.806 -8.241 7.243  9.387  2.499  1.696  C6   QNC 9  
ROC C7   C8  C 0 1 Y N N 14.217 -7.001 7.516  8.368  2.435  2.645  C7   QNC 10 
ROC C8   C9  C 0 1 Y N N 14.966 -5.835 7.393  7.246  1.700  2.422  C8   QNC 11 
ROC C8A  C10 C 0 1 Y N N 16.297 -5.929 6.995  7.105  0.989  1.214  C8A  QNC 12 
ROC N    N2  N 0 1 N N N 18.279 -2.627 7.045  3.682  -1.233 0.559  N    DSG 13 
ROC CA   C11 C 0 1 N N S 18.773 -1.291 7.300  2.426  -1.939 0.298  CA   DSG 14 
ROC C1   C12 C 0 1 N N N 18.626 -0.898 8.761  1.376  -0.952 -0.142 C    DSG 15 
ROC O1   O2  O 0 1 N N N 17.709 -0.198 9.208  1.651  0.226  -0.230 O    DSG 16 
ROC CB   C13 C 0 1 N N N 18.041 -0.304 6.442  1.962  -2.641 1.576  CB   DSG 17 
ROC CG   C14 C 0 1 N N N 18.449 -0.571 5.014  2.942  -3.728 1.937  CG   DSG 18 
ROC OD1  O3  O 0 1 N N N 19.616 -0.691 4.675  3.858  -3.991 1.187  OD1  DSG 19 
ROC ND2  N3  N 0 1 N N N 17.556 -0.763 4.077  2.800  -4.406 3.093  ND2  DSG 20 
ROC C9   C15 C 0 1 N N R 20.587 0.083  11.188 -2.277 -0.974 -0.547 C    HPH 21 
ROC O2   O5  O 0 1 N N N 21.877 -0.510 11.108 -2.512 -2.148 -1.326 O    HPH 22 
ROC CA1  C16 C 0 1 N N S 19.559 -1.049 10.983 -0.888 -0.418 -0.867 CA   HPH 23 
ROC N2   N4  N 0 1 N N N 19.567 -1.387 9.569  0.132  -1.378 -0.439 N    HPH 24 
ROC CB1  C17 C 0 1 N N N 19.888 -2.314 11.792 -0.768 -0.184 -2.374 CB   HPH 25 
ROC CG1  C18 C 0 1 Y N N 19.089 -3.505 11.321 0.553  0.477  -2.676 CG   HPH 26 
ROC CD1  C19 C 0 1 Y N N 17.728 -3.576 11.598 1.668  -0.296 -2.940 CD1  HPH 27 
ROC CD2  C20 C 0 1 Y N N 19.725 -4.494 10.572 0.648  1.855  -2.693 CD2  HPH 28 
ROC CE1  C21 C 0 1 Y N N 16.995 -4.656 11.117 2.879  0.310  -3.217 CE1  HPH 29 
ROC CE2  C22 C 0 1 Y N N 18.983 -5.560 10.101 1.859  2.462  -2.970 CE2  HPH 30 
ROC CZ   C23 C 0 1 Y N N 17.620 -5.640 10.370 2.975  1.689  -3.230 CZ   HPH 31 
ROC N11  N5  N 0 1 N N N 19.421 1.907  12.419 -4.650 -0.383 -0.410 N1   DIQ 32 
ROC CM   C24 C 0 1 N N N 20.464 0.886  12.488 -3.337 0.079  -0.879 CM   DIQ 33 
ROC C21  C25 C 0 1 N N S 18.888 2.287  13.738 -5.599 0.734  -0.319 C2   DIQ 34 
ROC CC   C26 C 0 1 N N N 18.242 1.188  14.571 -5.011 1.824  0.538  C    DIQ 35 
ROC O3   O7  O 0 1 N N N 17.366 0.483  14.069 -4.110 1.570  1.309  O    DIQ 36 
ROC C31  C27 C 0 1 N N N 17.845 3.390  13.594 -6.909 0.245  0.304  C3   DIQ 37 
ROC C3A  C28 C 0 1 N N S 18.440 4.608  12.931 -7.488 -0.880 -0.557 C3A  DIQ 38 
ROC C41  C29 C 0 1 N N N 17.355 5.653  12.755 -8.774 -1.406 0.078  C4   DIQ 39 
ROC C51  C30 C 0 1 N N N 16.363 5.298  11.656 -8.471 -1.956 1.473  C5   DIQ 40 
ROC C61  C31 C 0 1 N N N 17.072 5.081  10.333 -7.455 -3.095 1.359  C6   DIQ 41 
ROC C71  C32 C 0 1 N N N 17.991 3.894  10.518 -6.164 -2.563 0.733  C7   DIQ 42 
ROC C7A  C33 C 0 1 N N S 19.066 4.216  11.543 -6.461 -2.011 -0.663 C7A  DIQ 43 
ROC C81  C34 C 0 1 N N N 20.022 3.051  11.743 -5.168 -1.456 -1.268 C8   DIQ 44 
ROC N3   N6  N 0 1 N N N 18.721 1.120  15.814 -5.486 3.082  0.449  N    NTB 45 
ROC CD   C35 C 0 1 N N N 18.334 0.142  16.813 -4.915 4.142  1.283  C    NTB 46 
ROC C11  C36 C 0 1 N N N 19.154 0.456  18.037 -3.424 4.288  0.972  C1   NTB 47 
ROC C22  C37 C 0 1 N N N 16.887 0.302  17.198 -5.628 5.463  0.989  C2   NTB 48 
ROC C32  C38 C 0 1 N N N 18.633 -1.290 16.365 -5.095 3.783  2.759  C3   NTB 49 
ROC H3   H2  H 0 1 N N N 20.007 -6.055 5.923  6.729  -0.936 -2.068 H3   QNC 50 
ROC H4   H3  H 0 1 N N N 18.708 -8.168 6.119  8.778  0.379  -1.711 H4   QNC 51 
ROC H5   H4  H 0 1 N N N 16.590 -9.295 6.637  10.084 1.884  -0.211 H5   QNC 52 
ROC H6   H5  H 0 1 N N N 14.218 -9.142 7.341  10.268 3.091  1.899  H6   QNC 53 
ROC H7   H6  H 0 1 N N N 13.182 -6.949 7.822  8.472  2.978  3.573  H7   QNC 54 
ROC H8   H7  H 0 1 N N N 14.522 -4.873 7.603  6.466  1.661  3.168  H8   QNC 55 
ROC H    H8  H 0 1 N N N 17.328 -2.833 7.277  3.821  -0.787 1.409  H    DSG 56 
ROC HA   H10 H 0 1 N N N 19.845 -1.284 7.054  2.581  -2.679 -0.487 HA   DSG 57 
ROC HB2  H11 H 0 1 N N N 16.954 -0.430 6.558  1.906  -1.917 2.389  HB2  DSG 58 
ROC HB3  H12 H 0 1 N N N 18.290 0.727  6.733  0.977  -3.080 1.412  HB3  DSG 59 
ROC HD21 H13 H 0 0 N N N 16.633 -0.671 4.450  2.067  -4.196 3.692  HD21 DSG 60 
ROC HD22 H14 H 0 0 N N N 17.767 -0.972 3.122  3.431  -5.106 3.325  HD22 DSG 61 
ROC HC   H16 H 0 1 N N N 20.396 0.830  10.403 -2.333 -1.224 0.513  HC   HPH 62 
ROC HO   H17 H 0 1 N N N 22.109 -0.642 10.196 -2.477 -2.000 -2.281 HO   HPH 63 
ROC HA1  H19 H 0 1 N N N 18.578 -0.693 11.330 -0.744 0.525  -0.340 HA   HPH 64 
ROC H1   H20 H 0 1 N N N 20.279 -1.986 9.202  -0.087 -2.320 -0.368 H    HPH 65 
ROC HB21 H22 H 0 0 N N N 20.958 -2.539 11.675 -0.823 -1.140 -2.896 HB2  HPH 66 
ROC HB31 H23 H 0 0 N N N 19.632 -2.124 12.845 -1.581 0.460  -2.708 HB3  HPH 67 
ROC HD1  H24 H 0 1 N N N 17.247 -2.803 12.179 1.593  -1.374 -2.931 HD1  HPH 68 
ROC HD2  H25 H 0 1 N N N 20.783 -4.428 10.363 -0.225 2.459  -2.491 HD2  HPH 69 
ROC HE1  H26 H 0 1 N N N 15.938 -4.727 11.326 3.750  -0.294 -3.423 HE1  HPH 70 
ROC HE2  H27 H 0 1 N N N 19.463 -6.335 9.521  1.933  3.539  -2.984 HE2  HPH 71 
ROC HZ   H28 H 0 1 N N N 17.047 -6.474 9.994  3.921  2.162  -3.445 HZ   HPH 72 
ROC HM1  H29 H 0 1 N N N 21.426 1.383  12.683 -3.084 1.017  -0.385 HM1  DIQ 73 
ROC HM2  H30 H 0 1 N N N 20.195 0.185  13.292 -3.370 0.233  -1.957 HM2  DIQ 74 
ROC H2   H32 H 0 1 N N N 19.795 2.599  14.277 -5.796 1.124  -1.318 H2   DIQ 75 
ROC H31  H33 H 0 1 N N N 17.012 3.018  12.979 -6.716 -0.128 1.310  H31  DIQ 76 
ROC H32  H34 H 0 1 N N N 17.489 3.672  14.596 -7.620 1.070  0.351  H32  DIQ 77 
ROC H3A  H35 H 0 1 N N N 19.241 5.022  13.561 -7.706 -0.498 -1.554 H3A  DIQ 78 
ROC H41  H36 H 0 1 N N N 16.804 5.743  13.703 -9.498 -0.595 0.157  H41  DIQ 79 
ROC H42  H37 H 0 1 N N N 17.845 6.595  12.468 -9.187 -2.201 -0.544 H42  DIQ 80 
ROC H51  H38 H 0 1 N N N 15.836 4.374  11.935 -8.060 -1.162 2.095  H51  DIQ 81 
ROC H52  H39 H 0 1 N N N 15.653 6.130  11.542 -9.390 -2.333 1.923  H52  DIQ 82 
ROC H61  H40 H 0 1 N N N 16.341 4.879  9.536  -7.240 -3.491 2.352  H61  DIQ 83 
ROC H62  H41 H 0 1 N N N 17.640 5.976  10.040 -7.864 -3.886 0.732  H62  DIQ 84 
ROC H71  H42 H 0 1 N N N 17.404 3.032  10.868 -5.758 -1.769 1.359  H71  DIQ 85 
ROC H72  H43 H 0 1 N N N 18.471 3.658  9.557  -5.438 -3.372 0.656  H72  DIQ 86 
ROC H7A  H44 H 0 1 N N N 19.627 5.074  11.143 -6.857 -2.806 -1.295 H7A  DIQ 87 
ROC H81  H45 H 0 1 N N N 20.866 3.403  12.354 -5.373 -1.058 -2.263 H81  DIQ 88 
ROC H82  H46 H 0 1 N N N 20.330 2.711  10.743 -4.429 -2.253 -1.341 H82  DIQ 89 
ROC HN1  H48 H 0 1 N N N 19.404 1.800  16.079 -6.207 3.286  -0.167 HN1  NTB 90 
ROC H11  H50 H 0 1 N N N 20.215 0.533  17.758 -3.296 4.544  -0.080 H11  NTB 91 
ROC H12  H51 H 0 1 N N N 18.818 1.411  18.468 -2.999 5.076  1.592  H12  NTB 92 
ROC H13  H52 H 0 1 N N N 19.027 -0.346 18.779 -2.915 3.347  1.181  H13  NTB 93 
ROC H21  H53 H 0 1 N N N 16.801 0.341  18.294 -6.691 5.359  1.211  H21  NTB 94 
ROC H22  H54 H 0 1 N N N 16.494 1.234  16.766 -5.203 6.252  1.610  H22  NTB 95 
ROC H23  H55 H 0 1 N N N 16.309 -0.552 16.815 -5.500 5.719  -0.063 H23  NTB 96 
ROC H311 H56 H 0 0 N N N 18.705 -1.324 15.268 -4.586 2.842  2.969  H31  NTB 97 
ROC H321 H57 H 0 0 N N N 19.586 -1.620 16.805 -4.669 4.571  3.380  H32  NTB 98 
ROC H33  H58 H 0 1 N N N 17.824 -1.955 16.700 -6.157 3.679  2.981  H33  NTB 99 
# 
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 
ROC O   C    DOUB N N 1   
ROC C   C2   SING N N 2   
ROC N1  C2   DOUB N N 3   
ROC N1  C8A  SING Y N 4   
ROC C2  C3   SING Y N 5   
ROC C3  C4   DOUB Y N 6   
ROC C3  H3   SING Y N 7   
ROC C4  C4A  SING N N 8   
ROC C4  H4   SING Y N 9   
ROC C4A C5   DOUB N N 10  
ROC C4A C8A  SING Y N 11  
ROC C5  C6   SING Y N 12  
ROC C5  H5   SING Y N 13  
ROC C6  C7   DOUB N N 14  
ROC C6  H6   SING Y N 15  
ROC C7  C8   SING N N 16  
ROC C7  H7   SING Y N 17  
ROC C8  C8A  DOUB N N 18  
ROC C8  H8   SING Y N 19  
ROC N   CA   SING N N 20  
ROC N   H    SING N N 21  
ROC CA  C1   SING N N 22  
ROC CA  CB   SING N N 23  
ROC CA  HA   SING N N 24  
ROC C1  O1   DOUB N N 25  
ROC CB  CG   SING N N 26  
ROC CB  HB2  SING N N 27  
ROC CB  HB3  SING N N 28  
ROC CG  OD1  DOUB N N 29  
ROC CG  ND2  SING N N 30  
ROC ND2 HD21 SING N N 31  
ROC ND2 HD22 SING N N 32  
ROC C9  O2   SING N N 33  
ROC C9  CA1  SING N N 34  
ROC C9  HC   SING N N 35  
ROC O2  HO   SING N N 36  
ROC CA1 N2   SING N N 37  
ROC CA1 CB1  SING N N 38  
ROC CA1 HA1  SING N N 39  
ROC N2  H1   SING N N 40  
ROC CB1 CG1  SING N N 41  
ROC CB1 HB21 SING N N 42  
ROC CB1 HB31 SING N N 43  
ROC CG1 CD1  DOUB N N 44  
ROC CG1 CD2  SING N N 45  
ROC CD1 CE1  SING N N 46  
ROC CD1 HD1  SING Y N 47  
ROC CD2 CE2  DOUB Y N 48  
ROC CD2 HD2  SING Y N 49  
ROC CE1 CZ   DOUB N N 50  
ROC CE1 HE1  SING Y N 51  
ROC CE2 CZ   SING N N 52  
ROC CE2 HE2  SING Y N 53  
ROC CZ  HZ   SING N N 54  
ROC N11 CM   SING Y N 55  
ROC N11 C21  SING N N 56  
ROC N11 C81  SING N N 57  
ROC CM  HM1  SING N N 58  
ROC CM  HM2  SING N N 59  
ROC C21 CC   SING N N 60  
ROC C21 C31  SING N N 61  
ROC C21 H2   SING N N 62  
ROC CC  O3   DOUB N N 63  
ROC C31 C3A  SING N N 64  
ROC C31 H31  SING N N 65  
ROC C31 H32  SING N N 66  
ROC C3A C41  SING N N 67  
ROC C3A C7A  SING N N 68  
ROC C3A H3A  SING N N 69  
ROC C41 C51  SING N N 70  
ROC C41 H41  SING N N 71  
ROC C41 H42  SING N N 72  
ROC C51 C61  SING N N 73  
ROC C51 H51  SING N N 74  
ROC C51 H52  SING N N 75  
ROC C61 C71  SING N N 76  
ROC C61 H61  SING N N 77  
ROC C61 H62  SING N N 78  
ROC C71 C7A  SING N N 79  
ROC C71 H71  SING N N 80  
ROC C71 H72  SING N N 81  
ROC C7A C81  SING N N 82  
ROC C7A H7A  SING N N 83  
ROC C81 H81  SING N N 84  
ROC C81 H82  SING N N 85  
ROC N3  CD   SING N N 86  
ROC N3  HN1  SING N N 87  
ROC CD  C11  SING N N 88  
ROC CD  C22  SING N N 89  
ROC CD  C32  SING N N 90  
ROC C11 H11  SING N N 91  
ROC C11 H12  SING N N 92  
ROC C11 H13  SING N N 93  
ROC C22 H21  SING N N 94  
ROC C22 H22  SING N N 95  
ROC C22 H23  SING N N 96  
ROC C32 H311 SING N N 97  
ROC C32 H321 SING N N 98  
ROC C32 H33  SING N N 99  
ROC C   N    SING N N 100 
ROC C1  N2   SING N N 101 
ROC C9  CM   SING N N 102 
ROC CC  N3   SING N N 103 
# 
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 
ROC SMILES           ACDLabs              10.04 O=C(N)CC(NC(=O)c1nc2c(cc1)cccc2)C(=O)NC(Cc3ccccc3)C(O)CN5C(C(=O)NC(C)(C)C)CC4CCCCC4C5 
ROC InChI            InChI                1.02b 
;InChI=1/C38H50N6O5/c1-38(2,3)43-37(49)32-20-26-14-7-8-15-27(26)22-44(32)23-33(45)30(19-24-11-5-4-6-12-24)41-36(48)31(21-34(39)46)42-35(47)29-18-17-25-13-9-10-16-28(25)40-29/h4-6,9-13,16-18,26-27,30-33,45H,7-8,14-15,19-23H2,1-3H3,(H2,39,46)(H,41,48)(H,42,47)(H,43,49)/t26-,27+,30-,31-,32-,33+/m0/s1/f/h41-43H,39H2
;
ROC InChIKey         InChI                1.02b QWAXKHKRTORLEM-MKDOQKCUDN 
ROC SMILES_CANONICAL CACTVS               3.341 CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)[C@H](CC(N)=O)NC(=O)c4ccc5ccccc5n4 
ROC SMILES           CACTVS               3.341 CC(C)(C)NC(=O)[CH]1C[CH]2CCCC[CH]2CN1C[CH](O)[CH](Cc3ccccc3)NC(=O)[CH](CC(N)=O)NC(=O)c4ccc5ccccc5n4 
ROC SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@]1C[C@H]([C@H](Cc3ccccc3)NC(=O)[C@H](CC(=O)N)NC(=O)c4ccc5ccccc5n4)O 
ROC SMILES           "OpenEye OEToolkits" 1.5.0 CC(C)(C)NC(=O)C1CC2CCCCC2CN1CC(C(Cc3ccccc3)NC(=O)C(CC(=O)N)NC(=O)c4ccc5ccccc5n4)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 
ROC "SYSTEMATIC NAME" ACDLabs              10.04 N~1~-{(1S,2R)-1-benzyl-3-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)octahydroisoquinolin-2(1H)-yl]-2-hydroxypropyl}-N~2~-(quinolin-2-ylcarbonyl)-L-aspartamide                               
ROC "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1-phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide 
# 
loop_
_pdbx_chem_comp_feature.comp_id 
_pdbx_chem_comp_feature.source 
_pdbx_chem_comp_feature.type 
_pdbx_chem_comp_feature.value 
ROC CAS      "CAS REGISTRY #"   127779-20-8                                            
ROC PUBCHEM  "PUBCHEM ID"       441243                                                 
ROC DRUGBANK "DRUGBANK ID"      DB01232                                                
ROC KEGG     "ENZYME INHIBITED" "HIV protease"                                         
ROC PUBCHEM  FUNCTION           "Inhibits human immunodeficiency virus (HIV) protease" 
# 
