data_0QF
#

_chem_comp.id                                   0QF
_chem_comp.name                                 
;N-[(1S)-2-{[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino}-1-(ethylsulfanyl)-2-oxoethyl]-Nalpha-(morp
holin-4-ylsulfonyl)-L-phenylalaninamide
;

_chem_comp.type                                 peptide-like
_chem_comp.pdbx_type                            HETAIN
_chem_comp.formula                              "C31 H52 N4 O7 S2"
_chem_comp.mon_nstd_parent_comp_id              ?
_chem_comp.pdbx_synonyms                        "PD-133,450"
_chem_comp.pdbx_formal_charge                   0
_chem_comp.pdbx_initial_date                    2010-02-05
_chem_comp.pdbx_modified_date                   2020-06-17
_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                       656.897
_chem_comp.one_letter_code                      ?
_chem_comp.three_letter_code                    0QF
_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       1EPQ
_chem_comp.pdbx_subcomponent_list               "SOT PHE GSC XAO"
_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
0QF  O1      O7      O  0  1  N  N  N   2.090  24.590  23.157   5.713  -4.014   1.273  O1      SOT   1  
0QF  C2      C30     C  0  1  N  N  N   0.843  24.679  22.463   6.239  -3.712  -0.022  C2      SOT   2  
0QF  C3      C28     C  0  1  N  N  N   1.031  24.755  20.936   5.211  -2.887  -0.804  C3      SOT   3  
0QF  N4      N4      N  0  1  N  N  N   2.362  25.299  20.633   4.812  -1.737   0.023  N4      SOT   4  
0QF  C5      C29     C  0  1  N  N  N   3.565  24.510  20.936   4.392  -1.995   1.409  C5      SOT   5  
0QF  C6      C311    C  0  1  N  N  N   3.734  24.399  22.463   5.460  -2.864   2.084  C6      SOT   6  
0QF  S       S1      S  0  1  N  N  N   2.513  26.858  19.922   4.835  -0.198  -0.589  S       SOT   7  
0QF  O1S     O1S     O  0  1  N  N  N   2.915  27.757  20.973   4.950   0.675   0.527  O1S     SOT   8  
0QF  O2S     O2S     O  0  1  N  N  N   1.380  27.497  19.305   5.762  -0.209  -1.666  O2S     SOT   9  
0QF  N       N1      N  0  1  N  N  N   3.318  26.867  18.881   3.346   0.087  -1.255  N       PHE  10  
0QF  CA      CA1     C  0  1  N  N  S   3.988  28.078  18.420   2.157   0.127  -0.400  CA      PHE  11  
0QF  C       C1      C  0  1  N  N  N   3.295  28.628  17.198   0.982  -0.447  -1.148  C       PHE  12  
0QF  O       O1      O  0  1  N  N  N   2.837  27.872  16.337   1.123  -0.850  -2.284  O       PHE  13  
0QF  CB      CB1     C  0  1  N  N  N   5.422  27.772  18.049   1.856   1.576  -0.012  CB      PHE  14  
0QF  CG      CG1     C  0  1  Y  N  N   6.326  27.918  19.242   2.978   2.110   0.841  CG      PHE  15  
0QF  CD1     CD1     C  0  1  Y  N  N   6.335  29.124  19.938   4.059   2.737   0.249  CD1     PHE  16  
0QF  CD2     CD2     C  0  1  Y  N  N   7.120  26.847  19.635   2.924   1.979   2.216  CD2     PHE  17  
0QF  CE1     CE1     C  0  1  Y  N  N   7.153  29.266  21.052   5.088   3.227   1.031  CE1     PHE  18  
0QF  CE2     CE2     C  0  1  Y  N  N   7.941  26.986  20.755   3.953   2.470   2.999  CE2     PHE  19  
0QF  CZ      CZ      C  0  1  Y  N  N   7.956  28.197  21.464   5.036   3.091   2.406  CZ      PHE  20  
0QF  N1      N2      N  0  1  N  N  N   3.245  29.937  17.164  -0.227  -0.513  -0.556  N       GSC  21  
0QF  CA1     CA2     C  0  1  N  N  S   2.639  30.663  16.050  -1.393  -0.966  -1.318  CA      GSC  22  
0QF  C1      C2      C  0  1  N  N  N   3.344  32.007  15.876  -2.561  -0.057  -1.038  C       GSC  23  
0QF  O2      O3      O  0  1  N  N  N   2.963  33.013  16.488  -3.030   0.620  -1.928  O       GSC  24  
0QF  S1      S3      S  0  1  N  N  N   0.822  30.979  16.288  -1.814  -2.661  -0.828  S       GSC  25  
0QF  C11     C31     C  0  1  N  N  N  -0.230  29.496  15.891  -1.244  -3.648  -2.239  C1      GSC  26  
0QF  C21     C32     C  0  1  N  N  N  -1.561  29.864  15.234  -1.643  -5.111  -2.033  C2      GSC  27  
0QF  C12     C3      C  0  1  N  N  S   5.167  33.184  14.736  -4.279   0.815   0.454  C1      XAO  28  
0QF  N2      N3      N  0  1  N  N  N   4.368  31.985  15.039  -3.086   0.004   0.202  N       XAO  29  
0QF  C22     C23     C  0  1  N  N  R   4.879  33.650  13.301  -3.864   2.264   0.717  C2      XAO  30  
0QF  O21     O23     O  0  1  N  N  N   5.233  32.629  12.377  -3.005   2.314   1.858  O2      XAO  31  
0QF  C31     C33     C  0  1  N  N  S   3.385  33.969  13.162  -3.123   2.812  -0.504  C3      XAO  32  
0QF  O3      O33     O  0  1  N  N  N   3.019  35.153  14.058  -3.983   2.763  -1.645  O3      XAO  33  
0QF  C4      C43     C  0  1  N  N  N   3.028  34.330  11.717  -2.708   4.261  -0.241  C4      XAO  34  
0QF  C51     C53     C  0  1  N  N  N   1.526  34.633  11.620  -1.893   4.782  -1.426  C5      XAO  35  
0QF  C61     C63     C  0  1  N  N  N   0.718  33.347  11.820  -1.605   6.272  -1.233  C6      XAO  36  
0QF  C7      C73     C  0  1  N  N  N   1.191  35.218  10.246  -0.572   4.014  -1.512  C7      XAO  37  
0QF  "C7'"   "C7'"   C  0  1  N  N  N   6.663  32.880  14.900  -5.020   0.267   1.675  "C7'"   XAO  38  
0QF  "C1'"   "C1'"   C  0  1  N  N  N   7.029  32.323  16.287  -5.513  -1.150   1.378  "C1'"   XAO  39  
0QF  "C2'"   "C2'"   C  0  1  N  N  N   6.676  33.341  17.382  -6.574  -1.101   0.276  "C2'"   XAO  40  
0QF  "C6'"   "C6'"   C  0  1  N  N  N   8.407  32.051  16.345  -6.122  -1.754   2.645  "C6'"   XAO  41  
0QF  "C3'"   "C3'"   C  0  1  N  N  N   6.991  32.763  18.769  -7.067  -2.519  -0.020  "C3'"   XAO  42  
0QF  "C5'"   "C5'"   C  0  1  N  N  N   8.768  31.389  17.679  -6.616  -3.172   2.349  "C5'"   XAO  43  
0QF  "C4'"   "C4'"   C  0  1  N  N  N   8.457  32.336  18.835  -7.676  -3.123   1.247  "C4'"   XAO  44  
0QF  H21     H49     H  0  1  N  N  N   0.246  23.785  22.699   7.161  -3.140   0.084  H21     SOT  45  
0QF  H22     H50     H  0  1  N  N  N   0.320  25.587  22.797   6.444  -4.640  -0.556  H22     SOT  46  
0QF  H31     H45     H  0  1  N  N  N   0.940  23.747  20.505   5.656  -2.533  -1.735  H31     SOT  47  
0QF  H32     H46     H  0  1  N  N  N   0.260  25.410  20.504   4.338  -3.501  -1.025  H32     SOT  48  
0QF  H51     H47     H  0  1  N  N  N   3.462  23.504  20.504   4.295  -1.051   1.945  H51     SOT  49  
0QF  H52     H48     H  0  1  N  N  N   4.447  25.006  20.504   3.437  -2.520   1.412  H52     SOT  50  
0QF  H61     H51     H  0  1  N  N  N   4.407  25.185  22.837   5.105  -3.181   3.065  H61     SOT  51  
0QF  H62     H52     H  0  1  N  N  N   4.159  23.422  22.736   6.379  -2.289   2.197  H62     SOT  52  
0QF  H       HN1     H  0  1  N  N  N   2.757  26.565  18.110   3.262   0.228  -2.211  H       PHE  53  
0QF  HA      HA1     H  0  1  N  N  N   3.955  28.815  19.236   2.337  -0.461   0.500  HA      PHE  54  
0QF  HB2     HB1     H  0  1  N  N  N   5.483  26.739  17.677   1.765   2.182  -0.913  HB2     PHE  55  
0QF  HB3     HB1A    H  0  1  N  N  N   5.747  28.472  17.265   0.923   1.615   0.550  HB3     PHE  56  
0QF  HD1     HD1     H  0  1  N  N  N   5.710  29.943  19.614   4.099   2.843  -0.825  HD1     PHE  57  
0QF  HD2     HD2     H  0  1  N  N  N   7.102  25.920  19.081   2.077   1.494   2.680  HD2     PHE  58  
0QF  HE1     HE1     H  0  1  N  N  N   7.169  30.198  21.598   5.932   3.716   0.568  HE1     PHE  59  
0QF  HE2     HE2     H  0  1  N  N  N   8.563  26.164  21.075   3.910   2.368   4.073  HE2     PHE  60  
0QF  HZ      HZ      H  0  1  N  N  N   8.590  28.304  22.332   5.840   3.474   3.017  HZ      PHE  61  
0QF  H1      HN2     H  0  1  N  N  N   3.634  30.456  17.925  -0.325  -0.260   0.375  H       GSC  62  
0QF  HA1     HA2     H  0  1  N  N  N   2.755  30.028  15.159  -1.162  -0.943  -2.383  HA      GSC  63  
0QF  H11     H31     H  0  1  N  N  N   0.330  28.851  15.198  -1.702  -3.272  -3.154  H11     GSC  64  
0QF  H12     H31A    H  0  1  N  N  N  -0.444  28.963  16.829  -0.159  -3.576  -2.318  H12     GSC  65  
0QF  H211    H32     H  0  0  N  N  N  -2.133  28.948  15.026  -1.301  -5.704  -2.881  H21     GSC  66  
0QF  H221    H32A    H  0  0  N  N  N  -2.138  30.510  15.912  -1.186  -5.487  -1.118  H22     GSC  67  
0QF  H23     H32B    H  0  1  N  N  N  -1.369  30.399  14.292  -2.728  -5.183  -1.954  H23     GSC  68  
0QF  H13     H3      H  0  1  N  N  N   4.891  33.985  15.438  -4.935   0.777  -0.416  H1      XAO  69  
0QF  HN1     HN3     H  0  1  N  N  N   4.608  31.122  14.595  -2.673  -0.490   0.928  HN1     XAO  70  
0QF  H2      H23     H  0  1  N  N  N   5.474  34.550  13.087  -4.752   2.868   0.904  H2      XAO  71  
0QF  HO2     HO23    H  0  1  N  N  N   5.052  32.925  11.493  -2.193   1.798   1.761  HO2     XAO  72  
0QF  H3      H33     H  0  1  N  N  N   2.824  33.071  13.461  -2.235   2.209  -0.692  H3      XAO  73  
0QF  HO3     HO33    H  0  1  N  N  N   2.093  35.345  13.967  -4.794   3.279  -1.548  HO3     XAO  74  
0QF  H41     H43     H  0  1  N  N  N   3.601  35.217  11.409  -3.599   4.877  -0.115  H41     XAO  75  
0QF  H42     H43A    H  0  1  N  N  N   3.275  33.486  11.057  -2.104   4.307   0.665  H42     XAO  76  
0QF  H5      H53     H  0  1  N  N  N   1.268  35.361  12.403  -2.457   4.637  -2.347  H5      XAO  77  
0QF  H611    H63     H  0  0  N  N  N  -0.356  33.573  11.749  -1.100   6.662  -2.116  H61     XAO  78  
0QF  H621    H63A    H  0  0  N  N  N   0.991  32.618  11.043  -2.543   6.806  -1.084  H62     XAO  79  
0QF  H63     H63B    H  0  1  N  N  N   0.939  32.926  12.812  -0.967   6.408  -0.359  H63     XAO  80  
0QF  H71     H73     H  0  1  N  N  N   0.113  35.430  10.190  -0.776   2.953  -1.650  H71     XAO  81  
0QF  H72     H73A    H  0  1  N  N  N   1.756  36.150  10.097   0.010   4.385  -2.356  H72     XAO  82  
0QF  H73     H73B    H  0  1  N  N  N   1.463  34.495   9.463  -0.007   4.159  -0.591  H73     XAO  83  
0QF  "H7'1"  "H7'"   H  0  0  N  N  N   6.945  32.131  14.145  -4.345   0.245   2.530  "H7'1"  XAO  84  
0QF  "H7'2"  "H7'A"  H  0  0  N  N  N   7.221  33.816  14.749  -5.872   0.908   1.901  "H7'2"  XAO  85  
0QF  "H1'"   "H1'"   H  0  1  N  N  N   6.458  31.397  16.451  -4.676  -1.765   1.049  "H1'"   XAO  86  
0QF  "H2'1"  "H2'"   H  0  0  N  N  N   7.267  34.256  17.229  -7.411  -0.487   0.605  "H2'1"  XAO  87  
0QF  "H2'2"  "H2'A"  H  0  0  N  N  N   5.603  33.577  17.324  -6.140  -0.671  -0.626  "H2'2"  XAO  88  
0QF  "H6'1"  "H6'"   H  0  0  N  N  N   8.675  31.373  15.522  -5.367  -1.789   3.431  "H6'1"  XAO  89  
0QF  "H6'2"  "H6'A"  H  0  0  N  N  N   8.965  32.994  16.248  -6.960  -1.139   2.974  "H6'2"  XAO  90  
0QF  "H3'1"  "H3'"   H  0  0  N  N  N   6.801  33.530  19.534  -7.822  -2.484  -0.805  "H3'1"  XAO  91  
0QF  "H3'2"  "H3'A"  H  0  0  N  N  N   6.349  31.889  18.953  -6.229  -3.134  -0.349  "H3'2"  XAO  92  
0QF  "H5'1"  "H5'"   H  0  0  N  N  N   8.180  30.467  17.797  -5.778  -3.786   2.020  "H5'1"  XAO  93  
0QF  "H5'2"  "H5'A"  H  0  0  N  N  N   9.841  31.148  17.686  -7.049  -3.602   3.252  "H5'2"  XAO  94  
0QF  "H4'1"  "H4'"   H  0  0  N  N  N   9.100  33.225  18.763  -8.514  -2.508   1.576  "H4'1"  XAO  95  
0QF  "H4'2"  "H4'A"  H  0  0  N  N  N   8.646  31.822  19.789  -8.027  -4.133   1.036  "H4'2"  XAO  96  
#   #
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
0QF  O1     C2      SING  N  N   1  
0QF  O1     C6      SING  N  N   2  
0QF  C2     C3      SING  N  N   3  
0QF  C2     H21     SING  N  N   4  
0QF  C2     H22     SING  N  N   5  
0QF  C3     N4      SING  N  N   6  
0QF  C3     H31     SING  N  N   7  
0QF  C3     H32     SING  N  N   8  
0QF  N4     C5      SING  N  N   9  
0QF  N4     S       SING  N  N  10  
0QF  C5     C6      SING  N  N  11  
0QF  C5     H51     SING  N  N  12  
0QF  C5     H52     SING  N  N  13  
0QF  C6     H61     SING  N  N  14  
0QF  C6     H62     SING  N  N  15  
0QF  S      O1S     DOUB  N  N  16  
0QF  S      O2S     DOUB  N  N  17  
0QF  N      CA      SING  N  N  18  
0QF  N      H       SING  N  N  19  
0QF  CA     C       SING  N  N  20  
0QF  CA     CB      SING  N  N  21  
0QF  CA     HA      SING  N  N  22  
0QF  C      O       DOUB  N  N  23  
0QF  CB     CG      SING  N  N  24  
0QF  CB     HB2     SING  N  N  25  
0QF  CB     HB3     SING  N  N  26  
0QF  CG     CD1     DOUB  Y  N  27  
0QF  CG     CD2     SING  Y  N  28  
0QF  CD1    CE1     SING  Y  N  29  
0QF  CD1    HD1     SING  N  N  30  
0QF  CD2    CE2     DOUB  Y  N  31  
0QF  CD2    HD2     SING  N  N  32  
0QF  CE1    CZ      DOUB  Y  N  33  
0QF  CE1    HE1     SING  N  N  34  
0QF  CE2    CZ      SING  Y  N  35  
0QF  CE2    HE2     SING  N  N  36  
0QF  CZ     HZ      SING  N  N  37  
0QF  N1     CA1     SING  N  N  38  
0QF  N1     H1      SING  N  N  39  
0QF  CA1    C1      SING  N  N  40  
0QF  CA1    S1      SING  N  N  41  
0QF  CA1    HA1     SING  N  N  42  
0QF  C1     O2      DOUB  N  N  43  
0QF  S1     C11     SING  N  N  44  
0QF  C11    C21     SING  N  N  45  
0QF  C11    H11     SING  N  N  46  
0QF  C11    H12     SING  N  N  47  
0QF  C21    H211    SING  N  N  48  
0QF  C21    H221    SING  N  N  49  
0QF  C21    H23     SING  N  N  50  
0QF  C12    N2      SING  N  N  51  
0QF  C12    C22     SING  N  N  52  
0QF  C12    "C7'"   SING  N  N  53  
0QF  C12    H13     SING  N  N  54  
0QF  N2     HN1     SING  N  N  55  
0QF  C22    O21     SING  N  N  56  
0QF  C22    C31     SING  N  N  57  
0QF  C22    H2      SING  N  N  58  
0QF  O21    HO2     SING  N  N  59  
0QF  C31    O3      SING  N  N  60  
0QF  C31    C4      SING  N  N  61  
0QF  C31    H3      SING  N  N  62  
0QF  O3     HO3     SING  N  N  63  
0QF  C4     C51     SING  N  N  64  
0QF  C4     H41     SING  N  N  65  
0QF  C4     H42     SING  N  N  66  
0QF  C51    C61     SING  N  N  67  
0QF  C51    C7      SING  N  N  68  
0QF  C51    H5      SING  N  N  69  
0QF  C61    H611    SING  N  N  70  
0QF  C61    H621    SING  N  N  71  
0QF  C61    H63     SING  N  N  72  
0QF  C7     H71     SING  N  N  73  
0QF  C7     H72     SING  N  N  74  
0QF  C7     H73     SING  N  N  75  
0QF  "C7'"  "C1'"   SING  N  N  76  
0QF  "C7'"  "H7'1"  SING  N  N  77  
0QF  "C7'"  "H7'2"  SING  N  N  78  
0QF  "C1'"  "C2'"   SING  N  N  79  
0QF  "C1'"  "C6'"   SING  N  N  80  
0QF  "C1'"  "H1'"   SING  N  N  81  
0QF  "C2'"  "C3'"   SING  N  N  82  
0QF  "C2'"  "H2'1"  SING  N  N  83  
0QF  "C2'"  "H2'2"  SING  N  N  84  
0QF  "C6'"  "C5'"   SING  N  N  85  
0QF  "C6'"  "H6'1"  SING  N  N  86  
0QF  "C6'"  "H6'2"  SING  N  N  87  
0QF  "C3'"  "C4'"   SING  N  N  88  
0QF  "C3'"  "H3'1"  SING  N  N  89  
0QF  "C3'"  "H3'2"  SING  N  N  90  
0QF  "C5'"  "C4'"   SING  N  N  91  
0QF  "C5'"  "H5'1"  SING  N  N  92  
0QF  "C5'"  "H5'2"  SING  N  N  93  
0QF  "C4'"  "H4'1"  SING  N  N  94  
0QF  "C4'"  "H4'2"  SING  N  N  95  
0QF  S      N       SING  N  N  96  
0QF  C      N1      SING  N  N  97  
0QF  C1     N2      SING  N  N  98  
#   #
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
0QF  SMILES            ACDLabs               12.01  "O=S(=O)(N1CCOCC1)NC(C(=O)NC(SCC)C(=O)NC(CC2CCCCC2)C(O)C(O)CC(C)C)Cc3ccccc3"  
0QF  SMILES_CANONICAL  CACTVS                3.370  "CCS[C@H](NC(=O)[C@H](Cc1ccccc1)N[S](=O)(=O)N2CCOCC2)C(=O)N[C@@H](CC3CCCCC3)[C@@H](O)[C@@H](O)CC(C)C"  
0QF  SMILES            CACTVS                3.370  "CCS[CH](NC(=O)[CH](Cc1ccccc1)N[S](=O)(=O)N2CCOCC2)C(=O)N[CH](CC3CCCCC3)[CH](O)[CH](O)CC(C)C"  
0QF  SMILES_CANONICAL  "OpenEye OEToolkits"  1.7.0  "CCS[C@@H](C(=O)N[C@@H](CC1CCCCC1)[C@H]([C@H](CC(C)C)O)O)NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)N3CCOCC3"  
0QF  SMILES            "OpenEye OEToolkits"  1.7.0  "CCSC(C(=O)NC(CC1CCCCC1)C(C(CC(C)C)O)O)NC(=O)C(Cc2ccccc2)NS(=O)(=O)N3CCOCC3"  
0QF  InChI             InChI                 1.03   "InChI=1S/C31H52N4O7S2/c1-4-43-31(30(39)32-25(20-23-11-7-5-8-12-23)28(37)27(36)19-22(2)3)33-29(38)26(21-24-13-9-6-10-14-24)34-44(40,41)35-15-17-42-18-16-35/h6,9-10,13-14,22-23,25-28,31,34,36-37H,4-5,7-8,11-12,15-21H2,1-3H3,(H,32,39)(H,33,38)/t25-,26-,27-,28+,31-/m0/s1"  
0QF  InChIKey          InChI                 1.03   KJPRBAWNGKPDKH-WKEJTYEPSA-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
0QF  "SYSTEMATIC NAME"  ACDLabs               12.01  "N-[(1S)-2-{[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino}-1-(ethylsulfanyl)-2-oxoethyl]-Nalpha-(morpholin-4-ylsulfonyl)-L-phenylalaninamide"  
0QF  "SYSTEMATIC NAME"  "OpenEye OEToolkits"  1.7.0  "(2S)-N-[(1S)-2-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methyl-heptan-2-yl]amino]-1-ethylsulfanyl-2-oxo-ethyl]-2-(morpholin-4-ylsulfonylamino)-3-phenyl-propanamide"  
#   #
loop_
_pdbx_chem_comp_audit.comp_id
_pdbx_chem_comp_audit.action_type
_pdbx_chem_comp_audit.date
_pdbx_chem_comp_audit.processing_site
0QF  "Create component"      2010-02-05  RCSB  
0QF  "Other modification"    2011-11-18  RCSB  
0QF  "Modify aromatic_flag"  2011-06-04  RCSB  
0QF  "Modify descriptor"     2011-06-04  RCSB  
0QF  "Modify name"           2020-05-16  RCSB  
0QF  "Modify synonyms"       2020-06-05  PDBE  
#
_pdbx_chem_comp_synonyms.ordinal     1
_pdbx_chem_comp_synonyms.comp_id     0QF
_pdbx_chem_comp_synonyms.name        "PD-133,450"
_pdbx_chem_comp_synonyms.provenance  ?
_pdbx_chem_comp_synonyms.type        ?
##
