data_A1H81
# 
_chem_comp.id                                    A1H81 
_chem_comp.name                                  "2-[4-[2-[2-[2-[4-[3-(dimethylamino)propoxy]phenyl]ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]ethyl]piperazin-1-yl]-N-(2-methoxyethyl)ethanamide" 
_chem_comp.type                                  non-polymer 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C36 H51 N7 O4" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2024-04-22 
_chem_comp.pdbx_modified_date                    2024-09-06 
_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                        645.835 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     A1H81 
_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        9F1K 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  PDBE 
# 
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.pdbx_n_terminal_atom_flag 
_chem_comp_atom.pdbx_backbone_atom_flag 
_chem_comp_atom.pdbx_c_terminal_atom_flag 
_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 
A1H81 C12 C1  C 0 1 N N N N N N -7.340  5.143  -28.340 2.650   3.611  -0.511 C12 A1H81 1  
A1H81 C1  C2  C 0 1 Y N N N N N -6.026  11.540 -20.782 2.889   -8.375 0.398  C1  A1H81 2  
A1H81 C5  C3  C 0 1 Y N N N N N -4.518  10.155 -22.416 2.638   -5.817 -0.085 C5  A1H81 3  
A1H81 N4  N1  N 0 1 N N N N N N -9.900  5.768  -30.088 5.117   6.951  -0.073 N4  A1H81 4  
A1H81 C3  C4  C 0 1 N N N N N N -3.549  13.239 -22.910 4.999   -6.644 -2.061 C3  A1H81 5  
A1H81 C10 C5  C 0 1 N N N N N N -4.591  5.074  -25.775 1.656   -0.020 -0.385 C10 A1H81 6  
A1H81 C13 C6  C 0 1 N N N N N N -7.579  6.348  -30.422 4.174   4.874  0.885  C13 A1H81 7  
A1H81 C14 C7  C 0 1 N N N N N N -8.771  5.452  -30.721 4.703   5.684  -0.271 C14 A1H81 8  
A1H81 C16 C8  C 0 1 N N N N N N -11.878 6.191  -31.491 6.029   9.130  -0.704 C16 A1H81 9  
A1H81 C17 C9  C 0 1 N N N N N N -13.169 8.131  -31.118 7.573   10.269 0.732  C17 A1H81 10 
A1H81 N2  N2  N 0 1 N N N N N N -5.513  5.631  -26.777 2.039   1.317  0.088  N2  A1H81 11 
A1H81 C6  C10 C 0 1 Y N N N N N -4.508  10.075 -23.812 3.416   -4.774 0.429  C6  A1H81 12 
A1H81 C11 C11 C 0 1 N N N N N N -6.349  4.569  -27.346 2.334   2.210  -1.041 C11 A1H81 13 
A1H81 C28 C12 C 0 1 N N N N N N 4.011   5.065  -24.808 -9.241  2.233  0.044  C28 A1H81 14 
A1H81 C29 C13 C 0 1 N N N N N N 2.735   5.464  -25.534 -10.530 1.625  -0.513 C29 A1H81 15 
A1H81 C30 C14 C 0 1 N N N N N N 1.551   7.191  -26.727 -11.244 3.709  -1.519 C30 A1H81 16 
A1H81 C31 C15 C 0 1 N N N N N N 3.655   6.405  -27.553 -12.887 2.058  -0.857 C31 A1H81 17 
A1H81 C32 C16 C 0 1 Y N N N N N 1.260   5.224  -21.260 -5.970  -0.421 0.320  C32 A1H81 18 
A1H81 N   N3  N 0 1 Y N N N N N -6.228  12.794 -20.495 3.682   -9.290 -0.076 N   A1H81 19 
A1H81 C   C17 C 0 1 N N N N N N -6.832  10.487 -20.096 1.821   -8.559 1.445  C   A1H81 20 
A1H81 O   O1  O 0 1 Y N N N N N -5.314  13.529 -21.293 4.438   -8.846 -0.908 O   A1H81 21 
A1H81 C15 C18 C 0 1 N N N N N N -11.207 5.276  -30.501 5.631   7.738  -1.197 C15 A1H81 22 
A1H81 C18 C19 C 0 1 N N N N N N -5.795  6.879  -28.877 3.496   2.643  1.540  C18 A1H81 23 
A1H81 C19 C20 C 0 1 N N N N N N -4.804  6.309  -27.868 3.181   1.243  1.010  C19 A1H81 24 
A1H81 C2  C21 C 0 1 Y N N N N N -4.593  12.659 -22.029 4.245   -7.534 -1.107 C2  A1H81 25 
A1H81 C20 C22 C 0 1 Y N N N N N -3.386  5.824  -22.809 -0.484  -2.546 -0.151 C20 A1H81 26 
A1H81 C21 C23 C 0 1 N N N N N N -3.159  4.353  -22.726 -1.677  -1.633 -0.266 C21 A1H81 27 
A1H81 C22 C24 C 0 1 N N N N N N -2.316  3.953  -21.516 -2.484  -1.682 1.033  C22 A1H81 28 
A1H81 C23 C25 C 0 1 Y N N N N N -0.847  4.169  -21.792 -3.678  -0.769 0.917  C23 A1H81 29 
A1H81 C24 C26 C 0 1 Y N N N N N -0.226  3.525  -22.852 -3.573  0.555  1.303  C24 A1H81 30 
A1H81 C25 C27 C 0 1 Y N N N N N 1.118   3.717  -23.120 -4.669  1.391  1.209  C25 A1H81 31 
A1H81 C26 C28 C 0 1 Y N N N N N 1.865   4.568  -22.321 -5.870  0.906  0.711  C26 A1H81 32 
A1H81 C27 C29 C 0 1 N N N N N N 3.764   4.055  -23.712 -8.149  1.162  0.086  C27 A1H81 33 
A1H81 C33 C30 C 0 1 Y N N N N N -0.086  5.019  -21.003 -4.875  -1.256 0.426  C33 A1H81 34 
A1H81 C34 C31 C 0 1 Y N N N N N -3.820  7.862  -22.290 0.760   -4.325 -0.258 C34 A1H81 35 
A1H81 C35 C32 C 0 1 Y N N N N N -4.150  9.053  -21.646 1.314   -5.595 -0.431 C35 A1H81 36 
A1H81 C4  C33 C 0 1 Y N N N N N -5.001  11.391 -21.755 3.235   -7.165 -0.265 C4  A1H81 37 
A1H81 C7  C34 C 0 1 Y N N N N N -4.169  8.900  -24.460 2.880   -3.530 0.600  C7  A1H81 38 
A1H81 C8  C35 C 0 1 Y N N N N N -3.843  7.804  -23.679 1.554   -3.290 0.264  C8  A1H81 39 
A1H81 C9  C36 C 0 1 N N N N N N -3.407  5.955  -25.366 1.120   -0.842 0.788  C9  A1H81 40 
A1H81 N1  N4  N 0 1 Y N N N N N -3.552  6.486  -23.998 0.738   -2.176 0.316  N1  A1H81 41 
A1H81 N3  N5  N 0 1 N N N N N N -6.637  5.814  -29.437 3.792   3.537  0.411  N3  A1H81 42 
A1H81 N5  N6  N 0 1 N N N N N N 2.866   6.671  -26.354 -11.579 2.653  -0.554 N5  A1H81 43 
A1H81 N6  N7  N 0 1 Y N N N N N -3.519  6.610  -21.762 -0.473  -3.804 -0.484 N6  A1H81 44 
A1H81 O1  O2  O 0 1 N N N N N N -11.909 7.499  -30.951 7.122   9.018  0.210  O1  A1H81 45 
A1H81 O2  O3  O 0 1 N N N N N N -8.685  4.518  -31.513 4.756   5.195  -1.380 O2  A1H81 46 
A1H81 O3  O4  O 0 1 N N N N N N 3.201   4.743  -22.584 -6.946  1.730  0.607  O3  A1H81 47 
A1H81 H1  H1  H 0 1 N N N N N N -7.988  5.869  -27.827 2.898   4.268  -1.344 H1  A1H81 48 
A1H81 H2  H2  H 0 1 N N N N N N -7.955  4.328  -28.749 1.781   4.004  0.017  H2  A1H81 49 
A1H81 H3  H3  H 0 1 N N N N N N -9.847  6.371  -29.292 5.074   7.342  0.814  H3  A1H81 50 
A1H81 H4  H4  H 0 1 N N N N N N -3.545  14.334 -22.803 5.868   -6.223 -1.556 H4  A1H81 51 
A1H81 H5  H5  H 0 1 N N N N N N -2.565  12.840 -22.624 5.326   -7.228 -2.921 H5  A1H81 52 
A1H81 H6  H6  H 0 1 N N N N N N -3.763  12.973 -23.956 4.347   -5.837 -2.396 H6  A1H81 53 
A1H81 H7  H7  H 0 1 N N N N N N -5.175  4.858  -24.868 0.883   0.072  -1.148 H7  A1H81 54 
A1H81 H8  H8  H 0 1 N N N N N N -4.184  4.136  -26.181 2.528   -0.519 -0.809 H8  A1H81 55 
A1H81 H9  H9  H 0 1 N N N N N N -7.032  6.514  -31.362 4.947   4.782  1.648  H9  A1H81 56 
A1H81 H10 H10 H 0 1 N N N N N N -7.960  7.308  -30.045 3.302   5.372  1.309  H10 A1H81 57 
A1H81 H11 H11 H 0 1 N N N N N N -12.905 5.844  -31.679 6.327   9.745  -1.554 H11 A1H81 58 
A1H81 H12 H12 H 0 1 N N N N N N -11.313 6.193  -32.435 5.180   9.594  -0.201 H12 A1H81 59 
A1H81 H13 H13 H 0 1 N N N N N N -13.134 9.140  -30.681 7.904   10.907 -0.087 H13 A1H81 60 
A1H81 H14 H14 H 0 1 N N N N N N -13.403 8.203  -32.190 6.757   10.756 1.265  H14 A1H81 61 
A1H81 H15 H15 H 0 1 N N N N N N -13.946 7.539  -30.612 8.404   10.098 1.417  H15 A1H81 62 
A1H81 H17 H17 H 0 1 N N N N N N -4.769  10.946 -24.395 4.448   -4.955 0.692  H17 A1H81 63 
A1H81 H18 H18 H 0 1 N N N N N N -6.899  4.069  -26.535 1.469   2.259  -1.703 H18 A1H81 64 
A1H81 H19 H19 H 0 1 N N N N N N -5.706  3.838  -27.858 3.193   1.828  -1.592 H19 A1H81 65 
A1H81 H20 H20 H 0 1 N N N N N N 4.710   4.630  -25.537 -8.920  3.054  -0.596 H20 A1H81 66 
A1H81 H21 H21 H 0 1 N N N N N N 4.459   5.965  -24.363 -9.422  2.607  1.052  H21 A1H81 67 
A1H81 H22 H22 H 0 1 N N N N N N 1.951   5.640  -24.783 -10.349 1.251  -1.521 H22 A1H81 68 
A1H81 H23 H23 H 0 1 N N N N N N 2.436   4.632  -26.189 -10.851 0.803  0.127  H23 A1H81 69 
A1H81 H24 H24 H 0 1 N N N N N N 0.963   7.389  -25.819 -12.001 4.492  -1.478 H24 A1H81 70 
A1H81 H25 H25 H 0 1 N N N N N N 1.674   8.125  -27.295 -10.270 4.132  -1.271 H25 A1H81 71 
A1H81 H26 H26 H 0 1 N N N N N N 1.027   6.450  -27.349 -11.212 3.286  -2.523 H26 A1H81 72 
A1H81 H27 H27 H 0 1 N N N N N N 4.642   6.014  -27.264 -12.845 1.563  -1.827 H27 A1H81 73 
A1H81 H28 H28 H 0 1 N N N N N N 3.135   5.663  -28.177 -13.142 1.329  -0.088 H28 A1H81 74 
A1H81 H29 H29 H 0 1 N N N N N N 3.782   7.338  -28.122 -13.645 2.841  -0.881 H29 A1H81 75 
A1H81 H30 H30 H 0 1 N N N N N N 1.835   5.892  -20.636 -6.905  -0.802 -0.064 H30 A1H81 76 
A1H81 H31 H31 H 0 1 N N N N N N -7.533  10.961 -19.394 2.249   -8.391 2.434  H31 A1H81 77 
A1H81 H32 H32 H 0 1 N N N N N N -7.396  9.911  -20.845 1.015   -7.845 1.272  H32 A1H81 78 
A1H81 H33 H33 H 0 1 N N N N N N -6.160  9.813  -19.544 1.426   -9.573 1.388  H33 A1H81 79 
A1H81 H34 H34 H 0 1 N N N N N N -11.848 5.187  -29.612 6.502   7.239  -1.621 H34 A1H81 80 
A1H81 H35 H35 H 0 1 N N N N N N -11.082 4.286  -30.964 4.858   7.830  -1.960 H35 A1H81 81 
A1H81 H36 H36 H 0 1 N N N N N N -5.240  7.367  -29.692 2.637   3.026  2.091  H36 A1H81 82 
A1H81 H37 H37 H 0 1 N N N N N N -6.435  7.619  -28.375 4.361   2.595  2.202  H37 A1H81 83 
A1H81 H38 H38 H 0 1 N N N N N N -4.146  5.588  -28.375 2.933   0.586  1.843  H38 A1H81 84 
A1H81 H39 H39 H 0 1 N N N N N N -4.199  7.128  -27.452 4.049   0.850  0.482  H39 A1H81 85 
A1H81 H40 H40 H 0 1 N N N N N N -4.135  3.850  -22.657 -1.338  -0.613 -0.445 H40 A1H81 86 
A1H81 H41 H41 H 0 1 N N N N N N -2.641  4.025  -23.639 -2.305  -1.957 -1.097 H41 A1H81 87 
A1H81 H42 H42 H 0 1 N N N N N N -2.614  4.563  -20.651 -2.824  -2.703 1.211  H42 A1H81 88 
A1H81 H43 H43 H 0 1 N N N N N N -2.488  2.890  -21.292 -1.857  -1.358 1.863  H43 A1H81 89 
A1H81 H44 H44 H 0 1 N N N N N N -0.802  2.861  -23.480 -2.637  0.933  1.686  H44 A1H81 90 
A1H81 H45 H45 H 0 1 N N N N N N 1.583   3.205  -23.949 -4.587  2.425  1.511  H45 A1H81 91 
A1H81 H46 H46 H 0 1 N N N N N N 3.062   3.285  -24.066 -8.470  0.340  0.727  H46 A1H81 92 
A1H81 H47 H47 H 0 1 N N N N N N 4.713   3.580  -23.423 -7.968  0.788  -0.921 H47 A1H81 93 
A1H81 H48 H48 H 0 1 N N N N N N -0.551  5.530  -20.173 -4.954  -2.290 0.125  H48 A1H81 94 
A1H81 H49 H49 H 0 1 N N N N N N -4.121  9.121  -20.569 0.715   -6.400 -0.832 H49 A1H81 95 
A1H81 H50 H50 H 0 1 N N N N N N -4.159  8.840  -25.538 3.488   -2.731 0.998  H50 A1H81 96 
A1H81 H51 H51 H 0 1 N N N N N N -2.486  5.356  -25.417 1.893   -0.934 1.551  H51 A1H81 97 
A1H81 H52 H52 H 0 1 N N N N N N -3.335  6.799  -26.068 0.248   -0.344 1.212  H52 A1H81 98 
# 
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 
A1H81 O2  C14 DOUB N N 1   
A1H81 C16 O1  SING N N 2   
A1H81 C16 C15 SING N N 3   
A1H81 C17 O1  SING N N 4   
A1H81 C14 C13 SING N N 5   
A1H81 C14 N4  SING N N 6   
A1H81 C15 N4  SING N N 7   
A1H81 C13 N3  SING N N 8   
A1H81 N3  C18 SING N N 9   
A1H81 N3  C12 SING N N 10  
A1H81 C18 C19 SING N N 11  
A1H81 C12 C11 SING N N 12  
A1H81 C19 N2  SING N N 13  
A1H81 C31 N5  SING N N 14  
A1H81 C11 N2  SING N N 15  
A1H81 N2  C10 SING N N 16  
A1H81 C30 N5  SING N N 17  
A1H81 N5  C29 SING N N 18  
A1H81 C10 C9  SING N N 19  
A1H81 C29 C28 SING N N 20  
A1H81 C9  N1  SING N N 21  
A1H81 C28 C27 SING N N 22  
A1H81 C7  C6  DOUB Y N 23  
A1H81 C7  C8  SING Y N 24  
A1H81 N1  C8  SING Y N 25  
A1H81 N1  C20 SING Y N 26  
A1H81 C6  C5  SING Y N 27  
A1H81 C27 O3  SING N N 28  
A1H81 C8  C34 DOUB Y N 29  
A1H81 C25 C24 DOUB Y N 30  
A1H81 C25 C26 SING Y N 31  
A1H81 C3  C2  SING N N 32  
A1H81 C24 C23 SING Y N 33  
A1H81 C20 C21 SING N N 34  
A1H81 C20 N6  DOUB Y N 35  
A1H81 C21 C22 SING N N 36  
A1H81 O3  C26 SING N N 37  
A1H81 C5  C4  SING N N 38  
A1H81 C5  C35 DOUB Y N 39  
A1H81 C26 C32 DOUB Y N 40  
A1H81 C34 N6  SING Y N 41  
A1H81 C34 C35 SING Y N 42  
A1H81 C2  C4  DOUB Y N 43  
A1H81 C2  O   SING Y N 44  
A1H81 C23 C22 SING N N 45  
A1H81 C23 C33 DOUB Y N 46  
A1H81 C4  C1  SING Y N 47  
A1H81 O   N   SING Y N 48  
A1H81 C32 C33 SING Y N 49  
A1H81 C1  N   DOUB Y N 50  
A1H81 C1  C   SING N N 51  
A1H81 C12 H1  SING N N 52  
A1H81 C12 H2  SING N N 53  
A1H81 N4  H3  SING N N 54  
A1H81 C3  H4  SING N N 55  
A1H81 C3  H5  SING N N 56  
A1H81 C3  H6  SING N N 57  
A1H81 C10 H7  SING N N 58  
A1H81 C10 H8  SING N N 59  
A1H81 C13 H9  SING N N 60  
A1H81 C13 H10 SING N N 61  
A1H81 C16 H11 SING N N 62  
A1H81 C16 H12 SING N N 63  
A1H81 C17 H13 SING N N 64  
A1H81 C17 H14 SING N N 65  
A1H81 C17 H15 SING N N 66  
A1H81 C6  H17 SING N N 67  
A1H81 C11 H18 SING N N 68  
A1H81 C11 H19 SING N N 69  
A1H81 C28 H20 SING N N 70  
A1H81 C28 H21 SING N N 71  
A1H81 C29 H22 SING N N 72  
A1H81 C29 H23 SING N N 73  
A1H81 C30 H24 SING N N 74  
A1H81 C30 H25 SING N N 75  
A1H81 C30 H26 SING N N 76  
A1H81 C31 H27 SING N N 77  
A1H81 C31 H28 SING N N 78  
A1H81 C31 H29 SING N N 79  
A1H81 C32 H30 SING N N 80  
A1H81 C   H31 SING N N 81  
A1H81 C   H32 SING N N 82  
A1H81 C   H33 SING N N 83  
A1H81 C15 H34 SING N N 84  
A1H81 C15 H35 SING N N 85  
A1H81 C18 H36 SING N N 86  
A1H81 C18 H37 SING N N 87  
A1H81 C19 H38 SING N N 88  
A1H81 C19 H39 SING N N 89  
A1H81 C21 H40 SING N N 90  
A1H81 C21 H41 SING N N 91  
A1H81 C22 H42 SING N N 92  
A1H81 C22 H43 SING N N 93  
A1H81 C24 H44 SING N N 94  
A1H81 C25 H45 SING N N 95  
A1H81 C27 H46 SING N N 96  
A1H81 C27 H47 SING N N 97  
A1H81 C33 H48 SING N N 98  
A1H81 C35 H49 SING N N 99  
A1H81 C7  H50 SING N N 100 
A1H81 C9  H51 SING N N 101 
A1H81 C9  H52 SING N N 102 
# 
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 
A1H81 InChI            InChI                1.06  "InChI=1S/C36H51N7O4/c1-27-36(28(2)47-39-27)30-10-13-33-32(25-30)38-34(14-9-29-7-11-31(12-8-29)46-23-6-16-40(3)4)43(33)22-21-41-17-19-42(20-18-41)26-35(44)37-15-24-45-5/h7-8,10-13,25H,6,9,14-24,26H2,1-5H3,(H,37,44)" 
A1H81 InChIKey         InChI                1.06  ZLYGYWHWWJLPIA-UHFFFAOYSA-N                                                                                                                                                                                             
A1H81 SMILES_CANONICAL CACTVS               3.385 "COCCNC(=O)CN1CCN(CC1)CCn2c(CCc3ccc(OCCCN(C)C)cc3)nc4cc(ccc24)c5c(C)onc5C"                                                                                                                                              
A1H81 SMILES           CACTVS               3.385 "COCCNC(=O)CN1CCN(CC1)CCn2c(CCc3ccc(OCCCN(C)C)cc3)nc4cc(ccc24)c5c(C)onc5C"                                                                                                                                              
A1H81 SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "Cc1c(c(on1)C)c2ccc3c(c2)nc(n3CCN4CCN(CC4)CC(=O)NCCOC)CCc5ccc(cc5)OCCCN(C)C"                                                                                                                                            
A1H81 SMILES           "OpenEye OEToolkits" 2.0.7 "Cc1c(c(on1)C)c2ccc3c(c2)nc(n3CCN4CCN(CC4)CC(=O)NCCOC)CCc5ccc(cc5)OCCCN(C)C"                                                                                                                                            
# 
_pdbx_chem_comp_identifier.comp_id           A1H81 
_pdbx_chem_comp_identifier.type              "SYSTEMATIC NAME" 
_pdbx_chem_comp_identifier.program           "OpenEye OEToolkits" 
_pdbx_chem_comp_identifier.program_version   2.0.7 
_pdbx_chem_comp_identifier.identifier        "2-[4-[2-[2-[2-[4-[3-(dimethylamino)propoxy]phenyl]ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]ethyl]piperazin-1-yl]-~{N}-(2-methoxyethyl)ethanamide" 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
A1H81 "Create component" 2024-04-22 PDBE 
A1H81 "Modify name"      2024-04-30 PDBE 
A1H81 "Initial release"  2024-09-11 RCSB 
# 
