data_A1IHR
# 
_chem_comp.id                                    A1IHR 
_chem_comp.name                                  "cryptophycin-uD[Dab]" 
_chem_comp.type                                  non-polymer 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C34 H43 Cl N4 O7" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         "(3S,10R,13E,16S)-3-(2-azanylethyl)-10-[(3-chloranyl-4-methoxy-phenyl)methyl]-6,6-dimethyl-16-[(1S)-1-[(2R,3R)-3-phenyloxiran-2-yl]ethyl]-1-oxa-4,8,11-triazacyclohexadec-13-ene-2,5,9,12-tetrone" 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2024-07-09 
_chem_comp.pdbx_modified_date                    2024-10-04 
_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                        655.181 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     A1IHR 
_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        9FYD 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  PDBE 
_chem_comp.pdbx_pcm                              ? 
# 
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 
A1IHR C14  C1  C  0 1 Y N N N N N 25.025 -27.653 -44.574 5.592   1.204  -1.724 C14  A1IHR 1  
A1IHR C10  C2  C  0 1 Y N N N N N 24.966 -28.636 -42.380 7.406   2.167  -0.487 C10  A1IHR 2  
A1IHR C12  C3  C  0 1 N N N N N N 26.800 -29.976 -41.552 7.887   4.467  -0.846 C12  A1IHR 3  
A1IHR C13  C4  C  0 1 Y N N N N N 25.634 -28.421 -43.585 6.380   2.295  -1.413 C13  A1IHR 4  
A1IHR C02  C5  C  0 1 N N N N N N 25.146 -23.474 -43.900 1.976   0.223  0.218  C02  A1IHR 5  
A1IHR C04  C6  C  0 1 N N R N N N 23.256 -24.784 -45.046 3.752   -1.239 -0.504 C04  A1IHR 6  
A1IHR C05  C7  C  0 1 N N N N N N 23.117 -26.265 -45.444 4.955   -1.200 -1.448 C05  A1IHR 7  
A1IHR C06  C8  C  0 1 Y N N N N N 23.758 -27.102 -44.368 5.820   -0.014 -1.110 C06  A1IHR 8  
A1IHR C07  C9  C  0 1 Y N N N N N 23.094 -27.311 -43.161 6.842   -0.145 -0.188 C07  A1IHR 9  
A1IHR C08  C10 C  0 1 Y N N N N N 23.697 -28.083 -42.167 7.637   0.942  0.124  C08  A1IHR 10 
A1IHR C15  C11 C  0 1 N N N N N N 22.964 -23.839 -46.181 2.946   -2.492 -0.755 C15  A1IHR 11 
A1IHR C17  C12 C  0 1 N N N N N N 23.866 -22.565 -48.145 1.350   -4.155 -0.082 C17  A1IHR 12 
A1IHR C18  C13 C  0 1 N N N N N N 24.582 -21.230 -47.805 0.037   -4.090 0.700  C18  A1IHR 13 
A1IHR C19  C14 C  0 1 N N N N N N 24.100 -20.662 -46.455 0.329   -3.714 2.155  C19  A1IHR 14 
A1IHR C20  C15 C  0 1 N N N N N N 24.273 -20.181 -48.891 -0.649  -5.457 0.656  C20  A1IHR 15 
A1IHR C21  C16 C  0 1 N N N N N N 26.078 -21.430 -47.727 -0.870  -3.054 0.087  C21  A1IHR 16 
A1IHR C23  C17 C  0 1 N N S N N N 28.235 -20.247 -47.453 -2.812  -1.643 0.101  C23  A1IHR 17 
A1IHR C24  C18 C  0 1 N N N N N N 28.893 -18.955 -47.965 -4.270  -2.107 0.112  C24  A1IHR 18 
A1IHR C25  C19 C  0 1 N N N N N N 29.262 -19.051 -49.424 -4.407  -3.381 -0.724 C25  A1IHR 19 
A1IHR C30  C20 C  0 1 N N N N N N 26.580 -23.475 -43.551 0.972   1.271  -0.022 C30  A1IHR 20 
A1IHR C31  C21 C  0 1 N N N N N N 27.288 -22.326 -43.505 0.103   1.585  0.936  C31  A1IHR 21 
A1IHR C32  C22 C  0 1 N N N N N N 28.762 -22.162 -43.202 -0.941  2.642  0.689  C32  A1IHR 22 
A1IHR C33  C23 C  0 1 N N S N N N 29.330 -20.870 -43.860 -2.331  2.032  0.884  C33  A1IHR 23 
A1IHR C35  C24 C  0 1 N N N N N N 28.223 -20.227 -45.940 -2.696  -0.328 0.819  C35  A1IHR 24 
A1IHR C37  C25 C  0 1 N N S N N N 30.828 -20.640 -43.517 -3.394  3.009  0.379  C37  A1IHR 25 
A1IHR C38  C26 C  0 1 N N N N N N 31.048 -20.326 -42.024 -3.298  4.319  1.164  C38  A1IHR 26 
A1IHR C39  C27 C  0 1 N N R N N N 31.499 -19.522 -44.348 -4.783  2.398  0.575  C39  A1IHR 27 
A1IHR C40  C28 C  0 1 N N R N N N 32.268 -19.873 -45.571 -5.985  3.169  0.026  C40  A1IHR 28 
A1IHR C42  C29 C  0 1 Y N N N N N 32.427 -18.908 -46.721 -7.150  2.371  -0.500 C42  A1IHR 29 
A1IHR C43  C30 C  0 1 Y N N N N N 32.432 -17.523 -46.549 -7.242  2.089  -1.850 C43  A1IHR 30 
A1IHR C44  C31 C  0 1 Y N N N N N 32.582 -16.678 -47.649 -8.310  1.356  -2.333 C44  A1IHR 31 
A1IHR C45  C32 C  0 1 Y N N N N N 32.729 -17.209 -48.929 -9.288  0.906  -1.465 C45  A1IHR 32 
A1IHR C46  C33 C  0 1 Y N N N N N 32.727 -18.590 -49.108 -9.196  1.187  -0.115 C46  A1IHR 33 
A1IHR C47  C34 C  0 1 Y N N N N N 32.578 -19.430 -48.006 -8.125  1.916  0.368  C47  A1IHR 34 
A1IHR N01  N1  N  0 1 N N N N N N 26.859 -20.317 -47.982 -1.966  -2.643 0.799  N01  A1IHR 35 
A1IHR N03  N2  N  0 1 N N N N N N 24.658 -24.589 -44.578 2.877   -0.074 -0.760 N03  A1IHR 36 
A1IHR N16  N3  N  0 1 N N N N N N 24.009 -23.499 -47.011 2.164   -2.966 0.268  N16  A1IHR 37 
A1IHR N85  N4  N  0 1 N N N N N N 29.994 -20.275 -49.731 -5.807  -3.826 -0.713 N85  A1IHR 38 
A1IHR O01  O1  O  0 1 N N N N N N 24.397 -22.513 -43.654 2.004   -0.370 1.279  O01  A1IHR 39 
A1IHR O11  O2  O  0 1 N N N N N N 25.513 -29.392 -41.358 8.182   3.239  -0.179 O11  A1IHR 40 
A1IHR O28  O3  O  0 1 N N N N N N 26.602 -22.505 -47.442 -0.635  -2.595 -1.010 O28  A1IHR 41 
A1IHR O29  O4  O  0 1 N N N N N N 21.835 -23.364 -46.357 2.988   -3.060 -1.826 O29  A1IHR 42 
A1IHR O34  O5  O  0 1 N N N N N N 29.221 -20.895 -45.297 -2.416  0.791  0.133  O34  A1IHR 43 
A1IHR O36  O6  O  0 1 N N N N N N 27.351 -19.646 -45.301 -2.855  -0.278 2.015  O36  A1IHR 44 
A1IHR O41  O7  O  0 1 N N N N N N 32.910 -19.524 -44.370 -5.701  3.090  1.424  O41  A1IHR 45 
A1IHR CL09 CL1 CL 0 0 N N N N N N 22.879 -28.368 -40.645 8.919   0.777  1.283  CL09 A1IHR 46 
A1IHR H141 H1  H  0 0 N N N N N N 25.537 -27.482 -45.509 4.794   1.304  -2.445 H141 A1IHR 47 
A1IHR H121 H2  H  0 0 N N N N N N 27.087 -30.540 -40.652 8.579   5.239  -0.510 H121 A1IHR 48 
A1IHR H122 H3  H  0 0 N N N N N N 26.767 -30.656 -42.416 7.991   4.330  -1.923 H122 A1IHR 49 
A1IHR H123 H4  H  0 0 N N N N N N 27.538 -29.182 -41.738 6.865   4.770  -0.615 H123 A1IHR 50 
A1IHR H131 H5  H  0 0 N N N N N N 26.613 -28.846 -43.749 6.199   3.247  -1.890 H131 A1IHR 51 
A1IHR H041 H6  H  0 0 N N N N N N 22.564 -24.576 -44.217 4.095   -1.222 0.531  H041 A1IHR 52 
A1IHR H051 H7  H  0 0 N N N N N N 22.053 -26.528 -45.536 5.535   -2.117 -1.336 H051 A1IHR 53 
A1IHR H052 H8  H  0 0 N N N N N N 23.623 -26.442 -46.405 4.606   -1.115 -2.477 H052 A1IHR 54 
A1IHR H071 H9  H  0 0 N N N N N N 22.118 -26.878 -42.996 7.018   -1.098 0.290  H071 A1IHR 55 
A1IHR H172 H10 H  0 0 N N N N N N 22.799 -22.373 -48.330 1.891   -5.062 0.186  H172 A1IHR 56 
A1IHR H171 H11 H  0 0 N N N N N N 24.320 -23.007 -49.044 1.139   -4.153 -1.151 H171 A1IHR 57 
A1IHR H192 H12 H  0 0 N N N N N N 24.626 -19.719 -46.245 0.820   -2.741 2.187  H192 A1IHR 58 
A1IHR H191 H13 H  0 0 N N N N N N 23.017 -20.476 -46.501 -0.606  -3.668 2.713  H191 A1IHR 59 
A1IHR H193 H14 H  0 0 N N N N N N 24.313 -21.387 -45.655 0.982   -4.465 2.600  H193 A1IHR 60 
A1IHR H202 H15 H  0 0 N N N N N N 24.782 -19.237 -48.646 0.004   -6.206 1.103  H202 A1IHR 61 
A1IHR H201 H16 H  0 0 N N N N N N 24.629 -20.547 -49.866 -1.585  -5.412 1.214  H201 A1IHR 62 
A1IHR H203 H17 H  0 0 N N N N N N 23.187 -20.010 -48.937 -0.856  -5.726 -0.380 H203 A1IHR 63 
A1IHR H231 H18 H  0 0 N N N N N N 28.817 -21.112 -47.804 -2.473  -1.529 -0.929 H231 A1IHR 64 
A1IHR H241 H19 H  0 0 N N N N N N 28.189 -18.120 -47.830 -4.579  -2.311 1.138  H241 A1IHR 65 
A1IHR H242 H20 H  0 0 N N N N N N 29.805 -18.764 -47.380 -4.903  -1.326 -0.309 H242 A1IHR 66 
A1IHR H251 H21 H  0 0 N N N N N N 28.340 -19.030 -50.024 -4.099  -3.176 -1.750 H251 A1IHR 67 
A1IHR H252 H22 H  0 0 N N N N N N 29.891 -18.188 -49.687 -3.774  -4.162 -0.303 H252 A1IHR 68 
A1IHR H301 H23 H  0 0 N N N N N N 27.072 -24.411 -43.329 0.937   1.784  -0.967 H301 A1IHR 69 
A1IHR H311 H24 H  0 0 N N N N N N 26.739 -21.419 -43.708 0.152   1.082  1.892  H311 A1IHR 70 
A1IHR H322 H25 H  0 0 N N N N N N 28.900 -22.101 -42.112 -0.802  3.463  1.391  H322 A1IHR 71 
A1IHR H321 H26 H  0 0 N N N N N N 29.308 -23.034 -43.592 -0.847  3.014  -0.331 H321 A1IHR 72 
A1IHR H331 H27 H  0 0 N N N N N N 28.760 -20.015 -43.468 -2.495  1.830  1.943  H331 A1IHR 73 
A1IHR H371 H28 H  0 0 N N N N N N 31.361 -21.577 -43.738 -3.231  3.208  -0.680 H371 A1IHR 74 
A1IHR H383 H29 H  0 0 N N N N N N 32.121 -20.172 -41.835 -2.308  4.754  1.025  H383 A1IHR 75 
A1IHR H382 H30 H  0 0 N N N N N N 30.494 -19.414 -41.756 -4.055  5.015  0.804  H382 A1IHR 76 
A1IHR H381 H31 H  0 0 N N N N N N 30.686 -21.167 -41.415 -3.461  4.120  2.224  H381 A1IHR 77 
A1IHR H391 H32 H  0 0 N N N N N N 30.978 -18.553 -44.351 -4.827  1.309  0.559  H391 A1IHR 78 
A1IHR H401 H33 H  0 0 N N N N N N 32.262 -20.937 -45.849 -5.794  4.115  -0.479 H401 A1IHR 79 
A1IHR H431 H34 H  0 0 N N N N N N 32.319 -17.104 -45.560 -6.478  2.440  -2.528 H431 A1IHR 80 
A1IHR H441 H35 H  0 0 N N N N N N 32.584 -15.607 -47.508 -8.382  1.137  -3.388 H441 A1IHR 81 
A1IHR H451 H36 H  0 0 N N N N N N 32.844 -16.552 -49.779 -10.123 0.335  -1.842 H451 A1IHR 82 
A1IHR H461 H37 H  0 0 N N N N N N 32.840 -19.009 -50.097 -9.960  0.836  0.563  H461 A1IHR 83 
A1IHR H471 H38 H  0 0 N N N N N N 32.579 -20.501 -48.149 -8.051  2.132  1.424  H471 A1IHR 84 
A1IHR H1   H39 H  0 1 N N N N N N 26.492 -19.561 -48.524 -2.172  -2.978 1.686  H1   A1IHR 85 
A1IHR H031 H40 H  0 0 N N N N N N 25.307 -25.326 -44.768 2.941   0.447  -1.575 H031 A1IHR 86 
A1IHR H161 H41 H  0 0 N N N N N N 24.907 -23.904 -46.837 2.147   -2.558 1.147  H161 A1IHR 87 
A1IHR H852 H42 H  0 0 N N N N N N 30.217 -20.295 -50.706 -5.923  -4.666 -1.260 H852 A1IHR 88 
A1IHR H851 H43 H  0 0 N N N N N N 30.838 -20.302 -49.196 -6.136  -3.960 0.231  H851 A1IHR 89 
# 
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 
A1IHR C02 C30  SING N N 1  
A1IHR C02 N03  SING N N 2  
A1IHR C02 O01  DOUB N N 3  
A1IHR C04 C05  SING N N 4  
A1IHR C04 C15  SING N N 5  
A1IHR C04 N03  SING N N 6  
A1IHR C05 C06  SING N N 7  
A1IHR C06 C07  DOUB Y N 8  
A1IHR C06 C14  SING Y N 9  
A1IHR C07 C08  SING Y N 10 
A1IHR C08 C10  DOUB Y N 11 
A1IHR C08 CL09 SING N N 12 
A1IHR C10 C13  SING Y N 13 
A1IHR C10 O11  SING N N 14 
A1IHR C12 O11  SING N N 15 
A1IHR C13 C14  DOUB Y N 16 
A1IHR C15 N16  SING N N 17 
A1IHR C15 O29  DOUB N N 18 
A1IHR C17 C18  SING N N 19 
A1IHR C17 N16  SING N N 20 
A1IHR C18 C19  SING N N 21 
A1IHR C18 C20  SING N N 22 
A1IHR C18 C21  SING N N 23 
A1IHR C21 N01  SING N N 24 
A1IHR C21 O28  DOUB N N 25 
A1IHR C23 C24  SING N N 26 
A1IHR C23 C35  SING N N 27 
A1IHR C23 N01  SING N N 28 
A1IHR C24 C25  SING N N 29 
A1IHR C30 C31  DOUB N E 30 
A1IHR C31 C32  SING N N 31 
A1IHR C32 C33  SING N N 32 
A1IHR C33 C37  SING N N 33 
A1IHR C33 O34  SING N N 34 
A1IHR C35 O34  SING N N 35 
A1IHR C35 O36  DOUB N N 36 
A1IHR C37 C38  SING N N 37 
A1IHR C37 C39  SING N N 38 
A1IHR C39 C40  SING N N 39 
A1IHR C39 O41  SING N N 40 
A1IHR C40 C42  SING N N 41 
A1IHR C40 O41  SING N N 42 
A1IHR C42 C43  DOUB Y N 43 
A1IHR C42 C47  SING Y N 44 
A1IHR C43 C44  SING Y N 45 
A1IHR C44 C45  DOUB Y N 46 
A1IHR C45 C46  SING Y N 47 
A1IHR C46 C47  DOUB Y N 48 
A1IHR N85 C25  SING N N 49 
A1IHR C14 H141 SING N N 50 
A1IHR C12 H121 SING N N 51 
A1IHR C12 H122 SING N N 52 
A1IHR C12 H123 SING N N 53 
A1IHR C13 H131 SING N N 54 
A1IHR C04 H041 SING N N 55 
A1IHR C05 H051 SING N N 56 
A1IHR C05 H052 SING N N 57 
A1IHR C07 H071 SING N N 58 
A1IHR C17 H172 SING N N 59 
A1IHR C17 H171 SING N N 60 
A1IHR C19 H192 SING N N 61 
A1IHR C19 H191 SING N N 62 
A1IHR C19 H193 SING N N 63 
A1IHR C20 H202 SING N N 64 
A1IHR C20 H201 SING N N 65 
A1IHR C20 H203 SING N N 66 
A1IHR C23 H231 SING N N 67 
A1IHR C24 H241 SING N N 68 
A1IHR C24 H242 SING N N 69 
A1IHR C25 H251 SING N N 70 
A1IHR C25 H252 SING N N 71 
A1IHR C30 H301 SING N N 72 
A1IHR C31 H311 SING N N 73 
A1IHR C32 H322 SING N N 74 
A1IHR C32 H321 SING N N 75 
A1IHR C33 H331 SING N N 76 
A1IHR C37 H371 SING N N 77 
A1IHR C38 H383 SING N N 78 
A1IHR C38 H382 SING N N 79 
A1IHR C38 H381 SING N N 80 
A1IHR C39 H391 SING N N 81 
A1IHR C40 H401 SING N N 82 
A1IHR C43 H431 SING N N 83 
A1IHR C44 H441 SING N N 84 
A1IHR C45 H451 SING N N 85 
A1IHR C46 H461 SING N N 86 
A1IHR C47 H471 SING N N 87 
A1IHR N01 H1   SING N N 88 
A1IHR N03 H031 SING N N 89 
A1IHR N16 H161 SING N N 90 
A1IHR N85 H852 SING N N 91 
A1IHR N85 H851 SING N N 92 
# 
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 
A1IHR InChI            InChI                1.06  "InChI=1S/C34H43ClN4O7/c1-20(29-30(46-29)22-9-6-5-7-10-22)26-11-8-12-28(40)38-25(18-21-13-14-27(44-4)23(35)17-21)31(41)37-19-34(2,3)33(43)39-24(15-16-36)32(42)45-26/h5-10,12-14,17,20,24-26,29-30H,11,15-16,18-19,36H2,1-4H3,(H,37,41)(H,38,40)(H,39,43)/b12-8+/t20-,24-,25+,26-,29+,30+/m0/s1" 
A1IHR InChIKey         InChI                1.06  MSHHVMADHYNOPF-YKWMBZHHSA-N                                                                                                                                                                                                                                                                      
A1IHR SMILES_CANONICAL CACTVS               3.385 "COc1ccc(C[C@H]2NC(=O)\C=C\C[C@H](OC(=O)[C@H](CCN)NC(=O)C(C)(C)CNC2=O)[C@H](C)[C@H]3O[C@@H]3c4ccccc4)cc1Cl"                                                                                                                                                                                      
A1IHR SMILES           CACTVS               3.385 "COc1ccc(C[CH]2NC(=O)C=CC[CH](OC(=O)[CH](CCN)NC(=O)C(C)(C)CNC2=O)[CH](C)[CH]3O[CH]3c4ccccc4)cc1Cl"                                                                                                                                                                                               
A1IHR SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "C[C@@H]([C@@H]1C/C=C/C(=O)N[C@@H](C(=O)NCC(C(=O)N[C@H](C(=O)O1)CCN)(C)C)Cc2ccc(c(c2)Cl)OC)[C@@H]3[C@H](O3)c4ccccc4"                                                                                                                                                                             
A1IHR SMILES           "OpenEye OEToolkits" 2.0.7 "CC(C1CC=CC(=O)NC(C(=O)NCC(C(=O)NC(C(=O)O1)CCN)(C)C)Cc2ccc(c(c2)Cl)OC)C3C(O3)c4ccccc4"                                                                                                                                                                                                           
# 
_pdbx_chem_comp_identifier.comp_id           A1IHR 
_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        "(3~{S},10~{R},13~{E},16~{S})-3-(2-azanylethyl)-10-[(3-chloranyl-4-methoxy-phenyl)methyl]-6,6-dimethyl-16-[(1~{S})-1-[(2~{R},3~{R})-3-phenyloxiran-2-yl]ethyl]-1-oxa-4,8,11-triazacyclohexadec-13-ene-2,5,9,12-tetrone" 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
A1IHR "Create component"   2024-07-09 PDBE 
A1IHR "Modify coordinates" 2024-07-23 PDBE 
A1IHR "Initial release"    2024-10-09 RCSB 
# 
_pdbx_chem_comp_synonyms.ordinal      1 
_pdbx_chem_comp_synonyms.comp_id      A1IHR 
_pdbx_chem_comp_synonyms.name         "(3S,10R,13E,16S)-3-(2-azanylethyl)-10-[(3-chloranyl-4-methoxy-phenyl)methyl]-6,6-dimethyl-16-[(1S)-1-[(2R,3R)-3-phenyloxiran-2-yl]ethyl]-1-oxa-4,8,11-triazacyclohexadec-13-ene-2,5,9,12-tetrone" 
_pdbx_chem_comp_synonyms.provenance   PDB 
_pdbx_chem_comp_synonyms.type         ? 
# 
