data_Y8N
# 
_chem_comp.id                                    Y8N 
_chem_comp.name                                  "BBO-8520 (bound form)" 
_chem_comp.type                                  non-polymer 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C35 H35 F6 N7 O2 S" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         "(4P)-2-amino-4-{4-[(2S,5R)-2,5-dimethyl-4-propanoylpiperazin-1-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}-6-(trifluoromethyl)quinazolin-7-yl}-7-fluoro-1-benzothiophene-3-carbonitrile" 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2023-11-28 
_chem_comp.pdbx_modified_date                    2024-12-13 
_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                        731.754 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     Y8N 
_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        8V39 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  RCSB 
_chem_comp.pdbx_pcm                              Y 
# 
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 
Y8N N1  N1  N 0 1 Y N N N N N -6.905  5.509 -1.967 -2.487 0.390  0.411  N1  Y8N 1  
Y8N N3  N2  N 0 1 N N N N N N -7.828  6.087 -3.973 -1.739 2.607  0.648  N3  Y8N 2  
Y8N C4  C1  C 0 1 Y N N N N N -4.345  6.032 -2.683 0.015  -0.653 0.576  C4  Y8N 3  
Y8N C5  C2  C 0 1 Y N N N N N -4.980  6.638 -4.947 0.931  1.594  0.832  C5  Y8N 4  
Y8N C6  C3  C 0 1 Y N N N N N -3.670  6.892 -5.264 2.182  1.068  0.915  C6  Y8N 5  
Y8N C7  C4  C 0 1 Y N N N N N -2.678  6.743 -4.282 2.385  -0.319 0.832  C7  Y8N 6  
Y8N C8  C5  C 0 1 Y N N N N N -3.016  6.304 -3.009 1.311  -1.180 0.664  C8  Y8N 7  
Y8N C10 C6  C 0 1 N N S N N N -7.370  4.037 1.878  -4.354 -3.917 -0.090 C10 Y8N 8  
Y8N C13 C7  C 0 1 Y N N N N N 0.668   8.526 -4.565 5.563  -1.724 2.254  C13 Y8N 9  
Y8N C15 C8  C 0 1 Y N N N N N 1.010   6.220 -5.030 5.824  -1.545 -0.141 C15 Y8N 10 
Y8N C17 C9  C 0 1 N N S N N N -8.990  5.286 -3.558 -1.405 3.276  -0.617 C17 Y8N 11 
Y8N C20 C10 C 0 1 N N N N N N -8.150  7.248 -4.814 -3.131 2.869  1.038  C20 Y8N 12 
Y8N C21 C11 C 0 1 N N N N N N -5.223  3.281 2.716  -4.814 -6.032 0.941  C21 Y8N 13 
Y8N C22 C12 C 0 1 N N R N N N -5.777  4.298 3.691  -5.983 -5.074 1.282  C22 Y8N 14 
Y8N C24 C13 C 0 1 N N N N N N -8.715  3.449 2.343  -5.055 -3.500 -1.399 C24 Y8N 15 
Y8N C26 C14 C 0 1 N N N N N N -7.212  1.662 2.433  -4.627 -5.864 -1.464 C26 Y8N 16 
Y8N C28 C15 C 0 1 N N N N N N -8.177  6.287 -7.080 -2.489 4.793  2.504  C28 Y8N 17 
Y8N C1  C16 C 0 1 Y N N N N N -5.888  5.379 -1.121 -2.265 -0.917 0.335  C1  Y8N 18 
Y8N C11 C17 C 0 1 Y N N N N N -1.237  6.991 -4.557 3.758  -0.867 0.925  C11 Y8N 19 
Y8N C12 C18 C 0 1 Y N N N N N -0.684  8.268 -4.362 4.282  -1.211 2.161  C12 Y8N 20 
Y8N C14 C19 C 0 1 Y N N N N N 1.510   7.491 -4.885 6.329  -1.891 1.119  C14 Y8N 21 
Y8N C16 C20 C 0 1 Y N N N N N -0.346  5.941 -4.846 4.537  -1.028 -0.251 C16 Y8N 22 
Y8N C18 C21 C 0 1 N N N N N N -9.687  4.787 -4.780 -1.518 4.793  -0.434 C18 Y8N 23 
Y8N C19 C22 C 0 1 N N R N N N -9.056  6.880 -5.990 -3.315 4.369  1.288  C19 Y8N 24 
Y8N C2  C23 C 0 1 Y N N N N N -6.699  5.916 -3.222 -1.493 1.253  0.571  C2  Y8N 25 
Y8N C23 C24 C 0 1 N N N N N N -6.724  5.077 2.803  -5.316 -3.686 1.092  C23 Y8N 26 
Y8N C25 C25 C 0 1 N N N N N N -8.612  1.974 2.014  -4.643 -4.622 -2.389 C25 Y8N 27 
Y8N C27 C26 C 0 1 N N N N N N -9.903  6.116 -2.656 -2.376 2.819  -1.707 C27 Y8N 28 
Y8N C29 C27 C 0 1 N N N N N N -11.407 6.117 -5.913 -3.635 6.030  -0.488 C29 Y8N 29 
Y8N C3  C28 C 0 1 Y N N N N N -5.366  6.211 -3.648 -0.173 0.748  0.662  C3  Y8N 30 
Y8N C30 C29 C 0 1 N N N N N N -11.814 7.370 -6.597 -3.143 6.768  -1.706 C30 Y8N 31 
Y8N C31 C30 C 0 1 N N N N N N -12.392 8.380 -5.635 -4.214 7.758  -2.170 C31 Y8N 32 
Y8N C32 C31 C 0 1 Y N N N N N 0.560   3.831 -5.476 5.167  -1.007 -2.534 C32 Y8N 33 
Y8N C33 C32 C 0 1 Y N N N N N -0.569  4.526 -5.141 4.179  -0.725 -1.636 C33 Y8N 34 
Y8N C34 C33 C 0 1 N N N N N N -1.869  3.947 -5.126 2.908  -0.184 -2.015 C34 Y8N 35 
Y8N C35 C34 C 0 1 N N N N N N -3.309  7.366 -6.637 3.365  1.984  1.098  C35 Y8N 36 
Y8N C9  C35 C 0 1 N N N N N N -7.470  4.573 0.450  -3.045 -3.146 0.094  C9  Y8N 37 
Y8N F1  F1  F 0 1 N N N N N N -2.066  6.139 -2.076 1.511  -2.514 0.585  F1  Y8N 38 
Y8N F2  F2  F 0 1 N N N N N N -6.503  3.716 4.740  -7.047 -5.245 0.389  F2  Y8N 39 
Y8N F3  F3  F 0 1 N N N N N N 2.816   7.696 -5.076 7.579  -2.393 1.223  F3  Y8N 40 
Y8N F4  F4  F 0 1 N N N N N N -2.805  8.580 -6.615 2.923  3.310  1.153  F4  Y8N 41 
Y8N F5  F5  F 0 1 N N N N N N -2.393  6.606 -7.242 4.024  1.662  2.289  F5  Y8N 42 
Y8N F6  F6  F 0 1 N N N N N N -4.343  7.392 -7.463 4.245  1.830  0.022  F6  Y8N 43 
Y8N N2  N3  N 0 1 Y N N N N N -4.623  5.621 -1.417 -1.059 -1.441 0.414  N2  Y8N 44 
Y8N N4  N4  N 0 1 N N N N N N -10.115 5.942 -5.568 -2.854 5.101  0.098  N4  Y8N 45 
Y8N N5  N5  N 0 1 N N N N N N -6.437  2.853 1.969  -4.100 -5.371 -0.174 N5  Y8N 46 
Y8N N6  N6  N 0 1 N N N N N N 0.646   2.556 -5.869 5.067  -0.807 -3.894 N6  Y8N 47 
Y8N N7  N7  N 0 1 N N N N N N -2.906  3.467 -5.249 1.901  0.246  -2.315 N7  Y8N 48 
Y8N O1  O1  O 0 1 N N N N N N -6.130  4.950 0.109  -3.323 -1.747 0.171  O1  Y8N 49 
Y8N O2  O2  O 0 1 N N N N N N -12.245 5.252 -5.685 -4.734 6.272  -0.035 O2  Y8N 50 
Y8N S1  S1  S 0 1 Y N N N N N 1.973   4.837 -5.440 6.580  -1.655 -1.725 S1  Y8N 51 
Y8N H1  H1  H 0 1 N N N N N N -5.738  6.766 -5.705 0.788  2.663  0.898  H1  Y8N 52 
Y8N H2  H2  H 0 1 N N N N N N 1.051   9.531 -4.472 5.968  -1.991 3.219  H2  Y8N 53 
Y8N H3  H3  H 0 1 N N N N N N -8.635  4.420 -2.980 -0.386 3.019  -0.906 H3  Y8N 54 
Y8N H4  H4  H 0 1 N N N N N N -7.214  7.670 -5.208 -3.799 2.549  0.237  H4  Y8N 55 
Y8N H5  H5  H 0 1 N N N N N N -8.661  8.001 -4.196 -3.364 2.316  1.948  H5  Y8N 56 
Y8N H6  H6  H 0 1 N N N N N N -4.763  2.433 3.245  -4.153 -6.145 1.801  H6  Y8N 57 
Y8N H7  H7  H 0 1 N N N N N N -4.483  3.738 2.043  -5.197 -7.002 0.627  H7  Y8N 58 
Y8N H8  H8  H 0 1 N N N N N N -4.973  4.952 4.059  -6.313 -5.212 2.311  H8  Y8N 59 
Y8N H9  H9  H 0 1 N N N N N N -8.853  3.598 3.424  -6.137 -3.481 -1.267 H9  Y8N 60 
Y8N H10 H10 H 0 1 N N N N N N -9.552  3.912 1.799  -4.693 -2.530 -1.738 H10 Y8N 61 
Y8N H11 H11 H 0 1 N N N N N N -6.851  0.744 1.947  -5.636 -6.256 -1.337 H11 Y8N 62 
Y8N H12 H12 H 0 1 N N N N N N -7.144  1.549 3.525  -3.972 -6.633 -1.874 H12 Y8N 63 
Y8N H13 H13 H 0 1 N N N N N N -7.404  7.015 -7.365 -2.608 5.863  2.669  H13 Y8N 64 
Y8N H14 H14 H 0 1 N N N N N N -7.697  5.370 -6.706 -2.832 4.248  3.384  H14 Y8N 65 
Y8N H15 H15 H 0 1 N N N N N N -8.794  6.046 -7.958 -1.438 4.567  2.325  H15 Y8N 66 
Y8N H16 H16 H 0 1 N N N N N N -1.329  9.074 -4.045 3.689  -1.079 3.054  H16 Y8N 67 
Y8N H17 H17 H 0 1 N N N N N N -10.564 4.189 -4.490 -0.757 5.135  0.267  H17 Y8N 68 
Y8N H18 H18 H 0 1 N N N N N N -8.999  4.166 -5.373 -1.380 5.289  -1.395 H18 Y8N 69 
Y8N H19 H19 H 0 1 N N N N N N -9.520  7.800 -6.375 -4.368 4.587  1.467  H19 Y8N 70 
Y8N H20 H20 H 0 1 N N N N N N -6.172  5.824 2.214  -4.764 -3.399 1.987  H20 Y8N 71 
Y8N H21 H21 H 0 1 N N N N N N -7.491  5.582 3.409  -6.062 -2.932 0.840  H21 Y8N 72 
Y8N H22 H22 H 0 1 N N N N N N -9.342  1.384 2.588  -5.383 -4.734 -3.181 H22 Y8N 73 
Y8N H23 H23 H 0 1 N N N N N N -8.758  1.793 0.939  -3.654 -4.431 -2.804 H23 Y8N 74 
Y8N H24 H24 H 0 1 N N N N N N -9.339  6.456 -1.775 -3.395 3.077  -1.418 H24 Y8N 75 
Y8N H25 H25 H 0 1 N N N N N N -10.273 6.989 -3.213 -2.128 3.315  -2.646 H25 Y8N 76 
Y8N H26 H26 H 0 1 N N N N N N -10.755 5.501 -2.331 -2.297 1.740  -1.835 H26 Y8N 77 
Y8N H27 H27 H 0 1 N N N N N N -10.932 7.810 -7.086 -2.230 7.310  -1.458 H27 Y8N 78 
Y8N H28 H28 H 0 1 N N N N N N -12.572 7.129 -7.357 -2.937 6.056  -2.504 H28 Y8N 79 
Y8N H29 H29 H 0 1 N N N N N N -12.678 9.289 -6.185 -3.858 8.292  -3.051 H29 Y8N 80 
Y8N H30 H30 H 0 1 N N N N N N -13.279 7.953 -5.145 -5.126 7.216  -2.417 H30 Y8N 81 
Y8N H31 H31 H 0 1 N N N N N N -11.639 8.634 -4.874 -4.419 8.471  -1.371 H31 Y8N 82 
Y8N H32 H32 H 0 1 N N N N N N -8.141  5.444 0.409  -2.558 -3.471 1.014  H32 Y8N 83 
Y8N H33 H33 H 0 1 N N N N N N -7.839  3.793 -0.232 -2.387 -3.340 -0.753 H33 Y8N 84 
Y8N H35 H35 H 0 1 N N N N N N 1.594   2.343 -6.107 5.813  -1.031 -4.473 H35 Y8N 85 
Y8N H36 H36 H 0 1 N N N N N N 0.347   1.957 -5.126 4.252  -0.444 -4.272 H36 Y8N 86 
# 
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 
Y8N F6  C35 SING N N 1  
Y8N F5  C35 SING N N 2  
Y8N C28 C19 SING N N 3  
Y8N C35 F4  SING N N 4  
Y8N C35 C6  SING N N 5  
Y8N C30 C29 SING N N 6  
Y8N C30 C31 SING N N 7  
Y8N C19 N4  SING N N 8  
Y8N C19 C20 SING N N 9  
Y8N C29 O2  DOUB N N 10 
Y8N C29 N4  SING N N 11 
Y8N N6  C32 SING N N 12 
Y8N N4  C18 SING N N 13 
Y8N C32 S1  SING Y N 14 
Y8N C32 C33 DOUB Y N 15 
Y8N S1  C15 SING Y N 16 
Y8N C6  C5  DOUB Y N 17 
Y8N C6  C7  SING Y N 18 
Y8N N7  C34 TRIP N N 19 
Y8N C33 C34 SING N N 20 
Y8N C33 C16 SING Y N 21 
Y8N F3  C14 SING N N 22 
Y8N C15 C14 DOUB Y N 23 
Y8N C15 C16 SING Y N 24 
Y8N C5  C3  SING Y N 25 
Y8N C14 C13 SING Y N 26 
Y8N C16 C11 DOUB Y N 27 
Y8N C20 N3  SING N N 28 
Y8N C18 C17 SING N N 29 
Y8N C13 C12 DOUB Y N 30 
Y8N C11 C12 SING Y N 31 
Y8N C11 C7  SING N N 32 
Y8N C7  C8  DOUB Y N 33 
Y8N N3  C17 SING N N 34 
Y8N N3  C2  SING N N 35 
Y8N C3  C2  DOUB Y N 36 
Y8N C3  C4  SING Y N 37 
Y8N C17 C27 SING N N 38 
Y8N C2  N1  SING Y N 39 
Y8N C8  C4  SING Y N 40 
Y8N C8  F1  SING N N 41 
Y8N C4  N2  DOUB Y N 42 
Y8N N1  C1  DOUB Y N 43 
Y8N N2  C1  SING Y N 44 
Y8N C1  O1  SING N N 45 
Y8N O1  C9  SING N N 46 
Y8N C9  C10 SING N N 47 
Y8N C10 N5  SING N N 48 
Y8N C10 C24 SING N N 49 
Y8N C10 C23 SING N N 50 
Y8N N5  C26 SING N N 51 
Y8N N5  C21 SING N N 52 
Y8N C25 C24 SING N N 53 
Y8N C25 C26 SING N N 54 
Y8N C21 C22 SING N N 55 
Y8N C23 C22 SING N N 56 
Y8N C22 F2  SING N N 57 
Y8N C5  H1  SING N N 58 
Y8N C13 H2  SING N N 59 
Y8N C17 H3  SING N N 60 
Y8N C20 H4  SING N N 61 
Y8N C20 H5  SING N N 62 
Y8N C21 H6  SING N N 63 
Y8N C21 H7  SING N N 64 
Y8N C22 H8  SING N N 65 
Y8N C24 H9  SING N N 66 
Y8N C24 H10 SING N N 67 
Y8N C26 H11 SING N N 68 
Y8N C26 H12 SING N N 69 
Y8N C28 H13 SING N N 70 
Y8N C28 H14 SING N N 71 
Y8N C28 H15 SING N N 72 
Y8N C12 H16 SING N N 73 
Y8N C18 H17 SING N N 74 
Y8N C18 H18 SING N N 75 
Y8N C19 H19 SING N N 76 
Y8N C23 H20 SING N N 77 
Y8N C23 H21 SING N N 78 
Y8N C25 H22 SING N N 79 
Y8N C25 H23 SING N N 80 
Y8N C27 H24 SING N N 81 
Y8N C27 H25 SING N N 82 
Y8N C27 H26 SING N N 83 
Y8N C30 H27 SING N N 84 
Y8N C30 H28 SING N N 85 
Y8N C31 H29 SING N N 86 
Y8N C31 H30 SING N N 87 
Y8N C31 H31 SING N N 88 
Y8N C9  H32 SING N N 89 
Y8N C9  H33 SING N N 90 
Y8N N6  H35 SING N N 91 
Y8N N6  H36 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 
Y8N SMILES           ACDLabs              12.01 "CCC(=O)N1CC(C)N(CC1C)c1nc(OCC23CCCN3CC(F)C2)nc2c1cc(c(c1ccc(F)c3sc(N)c(C#N)c13)c2F)C(F)(F)F"                                                                                                                                                                    
Y8N InChI            InChI                1.06  "InChI=1S/C35H35F6N7O2S/c1-4-25(49)47-13-18(3)48(14-17(47)2)32-21-10-23(35(39,40)41)27(20-6-7-24(37)30-26(20)22(12-42)31(43)51-30)28(38)29(21)44-33(45-32)50-16-34-8-5-9-46(34)15-19(36)11-34/h6-7,10,17-19H,4-5,8-9,11,13-16,43H2,1-3H3/t17-,18+,19-,34+/m1/s1" 
Y8N InChIKey         InChI                1.06  DWYHZCOHGXYZHA-VHJOERAISA-N                                                                                                                                                                                                                                      
Y8N SMILES_CANONICAL CACTVS               3.385 "CCC(=O)N1C[C@H](C)N(C[C@H]1C)c2nc(OC[C@@]34CCCN3C[C@H](F)C4)nc5c(F)c(c6ccc(F)c7sc(N)c(C#N)c67)c(cc25)C(F)(F)F"                                                                                                                                                  
Y8N SMILES           CACTVS               3.385 "CCC(=O)N1C[CH](C)N(C[CH]1C)c2nc(OC[C]34CCCN3C[CH](F)C4)nc5c(F)c(c6ccc(F)c7sc(N)c(C#N)c67)c(cc25)C(F)(F)F"                                                                                                                                                       
Y8N SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "CCC(=O)N1C[C@@H](N(C[C@H]1C)c2c3cc(c(c(c3nc(n2)OC[C@@]45CCCN4C[C@@H](C5)F)F)c6ccc(c7c6c(c(s7)N)C#N)F)C(F)(F)F)C"                                                                                                                                                
Y8N SMILES           "OpenEye OEToolkits" 2.0.7 "CCC(=O)N1CC(N(CC1C)c2c3cc(c(c(c3nc(n2)OCC45CCCN4CC(C5)F)F)c6ccc(c7c6c(c(s7)N)C#N)F)C(F)(F)F)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 
Y8N "SYSTEMATIC NAME" ACDLabs              12.01 "(4P)-2-amino-4-{4-[(2S,5R)-2,5-dimethyl-4-propanoylpiperazin-1-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}-6-(trifluoromethyl)quinazolin-7-yl}-7-fluoro-1-benzothiophene-3-carbonitrile"                  
Y8N "SYSTEMATIC NAME" "OpenEye OEToolkits" 2.0.7 "2-azanyl-4-[4-[(2~{S},5~{R})-2,5-dimethyl-4-propanoyl-piperazin-1-yl]-8-fluoranyl-2-[[(2~{R},8~{S})-2-fluoranyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-6-(trifluoromethyl)quinazolin-7-yl]-7-fluoranyl-1-benzothiophene-3-carbonitrile" 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
Y8N "Create component" 2023-11-28 RCSB 
Y8N "Modify PCM"       2024-09-27 PDBE 
Y8N "Initial release"  2024-12-18 RCSB 
# 
_pdbx_chem_comp_synonyms.ordinal      1 
_pdbx_chem_comp_synonyms.comp_id      Y8N 
_pdbx_chem_comp_synonyms.name         "(4P)-2-amino-4-{4-[(2S,5R)-2,5-dimethyl-4-propanoylpiperazin-1-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}-6-(trifluoromethyl)quinazolin-7-yl}-7-fluoro-1-benzothiophene-3-carbonitrile" 
_pdbx_chem_comp_synonyms.provenance   PDB 
_pdbx_chem_comp_synonyms.type         ? 
# 
_pdbx_chem_comp_pcm.pcm_id                             1 
_pdbx_chem_comp_pcm.comp_id                            Y8N 
_pdbx_chem_comp_pcm.modified_residue_id                CYS 
_pdbx_chem_comp_pcm.type                               None 
_pdbx_chem_comp_pcm.category                           "Covalent chemical modification" 
_pdbx_chem_comp_pcm.position                           "Amino-acid side chain" 
_pdbx_chem_comp_pcm.polypeptide_position               "Any position" 
_pdbx_chem_comp_pcm.comp_id_linking_atom               C31 
_pdbx_chem_comp_pcm.modified_residue_id_linking_atom   SG 
_pdbx_chem_comp_pcm.uniprot_specific_ptm_accession     ? 
_pdbx_chem_comp_pcm.uniprot_generic_ptm_accession      ? 
# 
