data_VYJ
#

_chem_comp.id                                   VYJ
_chem_comp.name                                 "11-cyclopentyl-2-({2-ethoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one"
_chem_comp.type                                 non-polymer
_chem_comp.pdbx_type                            HETAIN
_chem_comp.formula                              "C36 H46 N8 O3"
_chem_comp.mon_nstd_parent_comp_id              ?
_chem_comp.pdbx_synonyms                        ?
_chem_comp.pdbx_formal_charge                   0
_chem_comp.pdbx_initial_date                    2020-09-21
_chem_comp.pdbx_modified_date                   2021-06-25
_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                       638.802
_chem_comp.one_letter_code                      ?
_chem_comp.three_letter_code                    VYJ
_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       7K6G
_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
VYJ  C13  C1   C  0  1  N  N  N   -8.378  -37.975  -28.170   6.287   0.814   1.103  C13  VYJ   1  
VYJ  C15  C2   C  0  1  N  N  N   -9.809  -40.010  -27.798   7.094   1.596  -1.043  C15  VYJ   2  
VYJ  C20  C3   C  0  1  N  N  N   -9.128  -43.720  -28.578  10.014   3.816  -1.897  C20  VYJ   3  
VYJ  C21  C4   C  0  1  N  N  N   -7.324  -37.357  -29.119   6.882  -0.567   0.820  C21  VYJ   4  
VYJ  C22  C5   C  0  1  N  N  N   -7.093  -35.868  -28.796   6.077  -1.630   1.574  C22  VYJ   5  
VYJ  C24  C6   C  0  1  Y  N  N   -4.993  -33.554  -24.928   1.928  -3.150  -0.550  C24  VYJ   6  
VYJ  C26  C7   C  0  1  Y  N  N   -2.545  -35.742  -21.338  -2.230  -0.902   0.065  C26  VYJ   7  
VYJ  C28  C8   C  0  1  Y  N  N   -1.208  -36.410  -19.514  -2.105   1.310   0.700  C28  VYJ   8  
VYJ  C01  C9   C  0  1  N  N  N   -3.664  -30.276  -22.551   0.028  -5.253  -3.674  C01  VYJ   9  
VYJ  C02  C10  C  0  1  N  N  N   -4.217  -31.302  -23.545   0.851  -4.557  -2.588  C02  VYJ  10  
VYJ  C04  C11  C  0  1  Y  N  N   -4.326  -33.661  -23.700   0.571  -3.038  -0.780  C04  VYJ  11  
VYJ  C05  C12  C  0  1  Y  N  N   -3.909  -34.908  -23.220  -0.208  -2.211   0.032  C05  VYJ  12  
VYJ  C06  C13  C  0  1  Y  N  N   -4.156  -36.060  -23.985   0.381  -1.501   1.072  C06  VYJ  13  
VYJ  C07  C14  C  0  1  Y  N  N   -4.803  -35.952  -25.204   1.734  -1.610   1.306  C07  VYJ  14  
VYJ  C08  C15  C  0  1  Y  N  N   -5.236  -34.701  -25.708   2.517  -2.440   0.500  C08  VYJ  15  
VYJ  C09  C16  C  0  1  N  N  N   -5.897  -34.726  -26.975   3.967  -2.558   0.749  C09  VYJ  16  
VYJ  C11  C17  C  0  1  N  N  N   -7.752  -36.256  -26.399   4.012  -0.187   1.357  C11  VYJ  17  
VYJ  C12  C18  C  0  1  N  N  N   -7.955  -37.762  -26.695   4.840   0.860   0.605  C12  VYJ  18  
VYJ  C16  C19  C  0  1  N  N  N  -10.067  -41.454  -28.264   7.858   2.725  -1.737  C16  VYJ  19  
VYJ  C18  C20  C  0  1  N  N  N   -7.591  -41.764  -28.659   9.207   3.034   0.248  C18  VYJ  20  
VYJ  C19  C21  C  0  1  N  N  N   -7.362  -40.290  -28.264   8.443   1.904   0.943  C19  VYJ  21  
VYJ  C29  C22  C  0  1  Y  N  N   -1.041  -37.692  -20.061  -3.485   1.410   0.598  C29  VYJ  22  
VYJ  C31  C23  C  0  1  N  N  N   -0.677  -39.906  -19.196  -5.160   3.150   0.317  C31  VYJ  23  
VYJ  C32  C24  C  0  1  Y  N  N   -1.795  -40.507  -19.849  -5.861   2.587  -0.842  C32  VYJ  24  
VYJ  C33  C25  C  0  1  Y  N  N   -2.213  -40.162  -21.177  -6.096   1.219  -0.946  C33  VYJ  25  
VYJ  C35  C26  C  0  1  Y  N  N   -1.667  -37.956  -21.304  -4.201   0.287   0.183  C35  VYJ  26  
VYJ  C37  C27  C  0  1  N  N  N   -1.591  -39.221  -23.407  -6.466  -0.510   0.793  C37  VYJ  27  
VYJ  C38  C28  C  0  1  N  N  N   -0.634  -38.199  -24.078  -6.123  -1.991   0.560  C38  VYJ  28  
VYJ  C39  C29  C  0  1  N  N  N   -0.373  -38.705  -25.512  -5.716  -2.570   1.931  C39  VYJ  29  
VYJ  C40  C30  C  0  1  N  N  N   -0.276  -40.224  -25.320  -6.399  -1.633   2.957  C40  VYJ  30  
VYJ  C41  C31  C  0  1  N  N  N   -1.209  -40.546  -24.126  -6.256  -0.239   2.297  C41  VYJ  31  
VYJ  C42  C32  C  0  1  Y  N  N   -3.344  -40.824  -21.732  -6.805   0.719  -2.029  C42  VYJ  32  
VYJ  C43  C33  C  0  1  Y  N  N   -4.040  -41.816  -21.021  -7.252   1.573  -3.018  C43  VYJ  33  
VYJ  C44  C34  C  0  1  Y  N  N   -3.625  -42.150  -19.726  -6.996   2.932  -2.935  C44  VYJ  34  
VYJ  C45  C35  C  0  1  Y  N  N   -2.518  -41.511  -19.147  -6.310   3.434  -1.861  C45  VYJ  35  
VYJ  C47  C36  C  0  1  N  N  N    1.012  -38.170  -18.831  -3.588   3.331   2.089  C47  VYJ  36  
VYJ  N10  N1   N  0  1  N  N  N   -6.966  -35.524  -27.387   4.660  -1.497   1.210  N10  VYJ  37  
VYJ  N14  N2   N  0  1  N  N  N   -8.577  -39.430  -28.417   7.077   1.838   0.407  N14  VYJ  38  
VYJ  N17  N3   N  0  1  N  N  N   -8.869  -42.329  -28.123   9.225   2.791  -1.201  N17  VYJ  39  
VYJ  N25  N4   N  0  1  N  N  N   -3.289  -34.837  -22.014  -1.578  -2.098  -0.200  N25  VYJ  40  
VYJ  N27  N5   N  0  1  Y  N  N   -1.941  -35.485  -20.163  -1.518   0.155   0.422  N27  VYJ  41  
VYJ  N30  N6   N  0  1  N  N  N   -0.262  -38.614  -19.401  -4.122   2.605   0.934  N30  VYJ  42  
VYJ  N34  N7   N  0  1  N  N  N   -1.585  -39.180  -21.935  -5.576   0.342   0.001  N34  VYJ  43  
VYJ  N36  N8   N  0  1  Y  N  N   -2.411  -36.979  -21.888  -3.549  -0.847  -0.052  N36  VYJ  44  
VYJ  O03  O1   O  0  1  N  N  N   -4.070  -32.579  -22.898  -0.006  -3.731  -1.797  O03  VYJ  45  
VYJ  O23  O2   O  0  1  N  N  N   -5.404  -33.941  -27.831   4.536  -3.611   0.539  O23  VYJ  46  
VYJ  O46  O3   O  0  1  N  N  N   -0.022  -40.602  -18.390  -5.567   4.211   0.750  O46  VYJ  47  
VYJ  H1   H1   H  0  1  N  N  N   -9.333  -37.453  -28.331   6.308   1.006   2.175  H1   VYJ  48  
VYJ  H2   H2   H  0  1  N  N  N   -9.692  -40.006  -26.704   6.071   1.564  -1.418  H2   VYJ  49  
VYJ  H3   H3   H  0  1  N  N  N  -10.672  -39.388  -28.077   7.586   0.645  -1.246  H3   VYJ  50  
VYJ  H4   H4   H  0  1  N  N  N  -10.078  -44.075  -28.151   9.541   4.789  -1.769  H4   VYJ  51  
VYJ  H5   H5   H  0  1  N  N  N   -9.189  -43.741  -29.676  11.021   3.843  -1.481  H5   VYJ  52  
VYJ  H6   H6   H  0  1  N  N  N   -8.309  -44.374  -28.244  10.067   3.574  -2.959  H6   VYJ  53  
VYJ  H7   H7   H  0  1  N  N  N   -7.677  -37.449  -30.157   6.838  -0.770  -0.250  H7   VYJ  54  
VYJ  H8   H8   H  0  1  N  N  N   -6.375  -37.901  -29.005   7.919  -0.592   1.153  H8   VYJ  55  
VYJ  H9   H9   H  0  1  N  N  N   -6.167  -35.555  -29.302   6.433  -2.623   1.299  H9   VYJ  56  
VYJ  H10  H10  H  0  1  N  N  N   -7.943  -35.301  -29.204   6.193  -1.482   2.648  H10  VYJ  57  
VYJ  H11  H11  H  0  1  N  N  N   -5.322  -32.587  -25.278   2.531  -3.789  -1.178  H11  VYJ  58  
VYJ  H12  H12  H  0  1  N  N  N   -0.747  -36.164  -18.569  -1.516   2.164   1.001  H12  VYJ  59  
VYJ  H13  H13  H  0  1  N  N  N   -3.744  -29.267  -22.982   0.682  -5.883  -4.277  H13  VYJ  60  
VYJ  H14  H14  H  0  1  N  N  N   -4.242  -30.323  -21.616  -0.742  -5.869  -3.209  H14  VYJ  61  
VYJ  H15  H15  H  0  1  N  N  N   -2.608  -30.502  -22.341  -0.442  -4.503  -4.310  H15  VYJ  62  
VYJ  H16  H16  H  0  1  N  N  N   -3.643  -31.277  -24.483   1.321  -5.307  -1.952  H16  VYJ  63  
VYJ  H17  H17  H  0  1  N  N  N   -5.277  -31.099  -23.758   1.620  -3.942  -3.053  H17  VYJ  64  
VYJ  H18  H18  H  0  1  N  N  N   -3.842  -37.028  -23.623  -0.224  -0.862   1.698  H18  VYJ  65  
VYJ  H19  H19  H  0  1  N  N  N   -4.982  -36.844  -25.786   2.189  -1.057   2.114  H19  VYJ  66  
VYJ  H20  H20  H  0  1  N  N  N   -7.244  -36.167  -25.427   3.960   0.079   2.413  H20  VYJ  67  
VYJ  H21  H21  H  0  1  N  N  N   -8.744  -35.785  -26.339   3.006  -0.225   0.940  H21  VYJ  68  
VYJ  H22  H22  H  0  1  N  N  N   -8.739  -38.158  -26.033   4.425   1.851   0.785  H22  VYJ  69  
VYJ  H23  H23  H  0  1  N  N  N   -7.012  -38.298  -26.508   4.816   0.644  -0.463  H23  VYJ  70  
VYJ  H24  H24  H  0  1  N  N  N  -10.365  -41.434  -29.323   7.897   2.532  -2.809  H24  VYJ  71  
VYJ  H25  H25  H  0  1  N  N  N  -10.884  -41.877  -27.661   7.350   3.673  -1.557  H25  VYJ  72  
VYJ  H26  H26  H  0  1  N  N  N   -7.613  -41.832  -29.757   8.715   3.985   0.452  H26  VYJ  73  
VYJ  H27  H27  H  0  1  N  N  N   -6.754  -42.363  -28.271  10.230   3.067   0.624  H27  VYJ  74  
VYJ  H28  H28  H  0  1  N  N  N   -7.044  -40.258  -27.211   8.951   0.957   0.762  H28  VYJ  75  
VYJ  H29  H29  H  0  1  N  N  N   -6.564  -39.880  -28.900   8.404   2.097   2.015  H29  VYJ  76  
VYJ  H30  H30  H  0  1  N  N  N   -2.607  -38.965  -23.741  -7.504  -0.319   0.521  H30  VYJ  77  
VYJ  H31  H31  H  0  1  N  N  N    0.312  -38.142  -23.519  -6.996  -2.520   0.176  H31  VYJ  78  
VYJ  H32  H32  H  0  1  N  N  N   -1.103  -37.204  -24.107  -5.295  -2.077  -0.144  H32  VYJ  79  
VYJ  H33  H33  H  0  1  N  N  N    0.566  -38.295  -25.913  -6.085  -3.590   2.039  H33  VYJ  80  
VYJ  H34  H34  H  0  1  N  N  N   -1.204  -38.442  -26.183  -4.633  -2.541   2.050  H34  VYJ  81  
VYJ  H35  H35  H  0  1  N  N  N   -0.614  -40.749  -26.226  -7.450  -1.896   3.080  H35  VYJ  82  
VYJ  H36  H36  H  0  1  N  N  N    0.759  -40.518  -25.090  -5.878  -1.664   3.914  H36  VYJ  83  
VYJ  H37  H37  H  0  1  N  N  N   -2.120  -41.042  -24.493  -5.260   0.167   2.476  H37  VYJ  84  
VYJ  H38  H38  H  0  1  N  N  N   -0.689  -41.211  -23.421  -7.019   0.442   2.674  H38  VYJ  85  
VYJ  H39  H39  H  0  1  N  N  N   -3.676  -40.557  -22.725  -7.008  -0.340  -2.098  H39  VYJ  86  
VYJ  H40  H40  H  0  1  N  N  N   -4.886  -42.316  -21.469  -7.803   1.180  -3.860  H40  VYJ  87  
VYJ  H41  H41  H  0  1  N  N  N   -4.161  -42.905  -19.169  -7.338   3.591  -3.719  H41  VYJ  88  
VYJ  H42  H42  H  0  1  N  N  N   -2.209  -41.787  -18.150  -6.117   4.495  -1.804  H42  VYJ  89  
VYJ  H43  H43  H  0  1  N  N  N    1.511  -39.019  -18.341  -2.817   4.026   1.756  H43  VYJ  90  
VYJ  H44  H44  H  0  1  N  N  N    1.656  -37.780  -19.633  -4.392   3.886   2.573  H44  VYJ  91  
VYJ  H45  H45  H  0  1  N  N  N    0.826  -37.377  -18.091  -3.157   2.623   2.797  H45  VYJ  92  
VYJ  H48  H48  H  0  1  N  N  N   -3.402  -33.962  -21.543  -2.075  -2.855  -0.547  H48  VYJ  93  
#   #
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
VYJ  C21  C22  SING  N  N   1  
VYJ  C21  C13  SING  N  N   2  
VYJ  C22  N10  SING  N  N   3  
VYJ  C18  C19  SING  N  N   4  
VYJ  C18  N17  SING  N  N   5  
VYJ  C20  N17  SING  N  N   6  
VYJ  N14  C19  SING  N  N   7  
VYJ  N14  C13  SING  N  N   8  
VYJ  N14  C15  SING  N  N   9  
VYJ  C16  N17  SING  N  N  10  
VYJ  C16  C15  SING  N  N  11  
VYJ  C13  C12  SING  N  N  12  
VYJ  O23  C09  DOUB  N  N  13  
VYJ  N10  C09  SING  N  N  14  
VYJ  N10  C11  SING  N  N  15  
VYJ  C09  C08  SING  N  N  16  
VYJ  C12  C11  SING  N  N  17  
VYJ  C08  C07  DOUB  Y  N  18  
VYJ  C08  C24  SING  Y  N  19  
VYJ  C39  C40  SING  N  N  20  
VYJ  C39  C38  SING  N  N  21  
VYJ  C40  C41  SING  N  N  22  
VYJ  C07  C06  SING  Y  N  23  
VYJ  C24  C04  DOUB  Y  N  24  
VYJ  C41  C37  SING  N  N  25  
VYJ  C38  C37  SING  N  N  26  
VYJ  C06  C05  DOUB  Y  N  27  
VYJ  C04  C05  SING  Y  N  28  
VYJ  C04  O03  SING  N  N  29  
VYJ  C02  O03  SING  N  N  30  
VYJ  C02  C01  SING  N  N  31  
VYJ  C37  N34  SING  N  N  32  
VYJ  C05  N25  SING  N  N  33  
VYJ  N25  C26  SING  N  N  34  
VYJ  N34  C35  SING  N  N  35  
VYJ  N34  C33  SING  N  N  36  
VYJ  N36  C26  DOUB  Y  N  37  
VYJ  N36  C35  SING  Y  N  38  
VYJ  C42  C33  DOUB  Y  N  39  
VYJ  C42  C43  SING  Y  N  40  
VYJ  C26  N27  SING  Y  N  41  
VYJ  C35  C29  DOUB  Y  N  42  
VYJ  C33  C32  SING  Y  N  43  
VYJ  C43  C44  DOUB  Y  N  44  
VYJ  N27  C28  DOUB  Y  N  45  
VYJ  C29  C28  SING  Y  N  46  
VYJ  C29  N30  SING  N  N  47  
VYJ  C32  C31  SING  N  N  48  
VYJ  C32  C45  DOUB  Y  N  49  
VYJ  C44  C45  SING  Y  N  50  
VYJ  N30  C31  SING  N  N  51  
VYJ  N30  C47  SING  N  N  52  
VYJ  C31  O46  DOUB  N  N  53  
VYJ  C13  H1   SING  N  N  54  
VYJ  C15  H2   SING  N  N  55  
VYJ  C15  H3   SING  N  N  56  
VYJ  C20  H4   SING  N  N  57  
VYJ  C20  H5   SING  N  N  58  
VYJ  C20  H6   SING  N  N  59  
VYJ  C21  H7   SING  N  N  60  
VYJ  C21  H8   SING  N  N  61  
VYJ  C22  H9   SING  N  N  62  
VYJ  C22  H10  SING  N  N  63  
VYJ  C24  H11  SING  N  N  64  
VYJ  C28  H12  SING  N  N  65  
VYJ  C01  H13  SING  N  N  66  
VYJ  C01  H14  SING  N  N  67  
VYJ  C01  H15  SING  N  N  68  
VYJ  C02  H16  SING  N  N  69  
VYJ  C02  H17  SING  N  N  70  
VYJ  C06  H18  SING  N  N  71  
VYJ  C07  H19  SING  N  N  72  
VYJ  C11  H20  SING  N  N  73  
VYJ  C11  H21  SING  N  N  74  
VYJ  C12  H22  SING  N  N  75  
VYJ  C12  H23  SING  N  N  76  
VYJ  C16  H24  SING  N  N  77  
VYJ  C16  H25  SING  N  N  78  
VYJ  C18  H26  SING  N  N  79  
VYJ  C18  H27  SING  N  N  80  
VYJ  C19  H28  SING  N  N  81  
VYJ  C19  H29  SING  N  N  82  
VYJ  C37  H30  SING  N  N  83  
VYJ  C38  H31  SING  N  N  84  
VYJ  C38  H32  SING  N  N  85  
VYJ  C39  H33  SING  N  N  86  
VYJ  C39  H34  SING  N  N  87  
VYJ  C40  H35  SING  N  N  88  
VYJ  C40  H36  SING  N  N  89  
VYJ  C41  H37  SING  N  N  90  
VYJ  C41  H38  SING  N  N  91  
VYJ  C42  H39  SING  N  N  92  
VYJ  C43  H40  SING  N  N  93  
VYJ  C44  H41  SING  N  N  94  
VYJ  C45  H42  SING  N  N  95  
VYJ  C47  H43  SING  N  N  96  
VYJ  C47  H44  SING  N  N  97  
VYJ  C47  H45  SING  N  N  98  
VYJ  N25  H48  SING  N  N  99  
#   #
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
VYJ  SMILES            ACDLabs               12.01  "C1(CCN(CC1)C(c6cc(c(Nc4ncc3N(C(=O)c2ccccc2N(c3n4)C5CCCC5)C)cc6)OCC)=O)N7CCN(C)CC7"  
VYJ  InChI             InChI                 1.03   "InChI=1S/C36H46N8O3/c1-4-47-32-23-25(34(45)43-17-15-26(16-18-43)42-21-19-40(2)20-22-42)13-14-29(32)38-36-37-24-31-33(39-36)44(27-9-5-6-10-27)30-12-8-7-11-28(30)35(46)41(31)3/h7-8,11-14,23-24,26-27H,4-6,9-10,15-22H2,1-3H3,(H,37,38,39)"  
VYJ  InChIKey          InChI                 1.03   XVBGRTMNFNMINE-UHFFFAOYSA-N  
VYJ  SMILES_CANONICAL  CACTVS                3.385  "CCOc1cc(ccc1Nc2ncc3N(C)C(=O)c4ccccc4N(C5CCCC5)c3n2)C(=O)N6CCC(CC6)N7CCN(C)CC7"  
VYJ  SMILES            CACTVS                3.385  "CCOc1cc(ccc1Nc2ncc3N(C)C(=O)c4ccccc4N(C5CCCC5)c3n2)C(=O)N6CCC(CC6)N7CCN(C)CC7"  
VYJ  SMILES_CANONICAL  "OpenEye OEToolkits"  2.0.7  "CCOc1cc(ccc1Nc2ncc3c(n2)N(c4ccccc4C(=O)N3C)C5CCCC5)C(=O)N6CCC(CC6)N7CCN(CC7)C"  
VYJ  SMILES            "OpenEye OEToolkits"  2.0.7  "CCOc1cc(ccc1Nc2ncc3c(n2)N(c4ccccc4C(=O)N3C)C5CCCC5)C(=O)N6CCC(CC6)N7CCN(CC7)C"  
#   #
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
VYJ  "SYSTEMATIC NAME"  ACDLabs               12.01  "11-cyclopentyl-2-({2-ethoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one"  
VYJ  "SYSTEMATIC NAME"  "OpenEye OEToolkits"  2.0.7  "11-cyclopentyl-2-[[2-ethoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl-phenyl]amino]-5-methyl-pyrimido[4,5-b][1,4]benzodiazepin-6-one"  
#   #
loop_
_pdbx_chem_comp_audit.comp_id
_pdbx_chem_comp_audit.action_type
_pdbx_chem_comp_audit.date
_pdbx_chem_comp_audit.processing_site
VYJ  "Create component"  2020-09-21  RCSB  
VYJ  "Initial release"   2021-06-30  RCSB  
##
