data_PFG # _chem_comp.id PFG _chem_comp.name "10-PARPARGYL-5,8-DIDEAZAFOLATE-4-GLUTAMIC ACID" _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "C39 H44 N8 O15" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms ? _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 1999-07-08 _chem_comp.pdbx_modified_date 2011-06-04 _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 864.811 _chem_comp.one_letter_code ? _chem_comp.three_letter_code PFG _chem_comp.pdbx_model_coordinates_details ? _chem_comp.pdbx_model_coordinates_missing_flag Y _chem_comp.pdbx_ideal_coordinates_details ? _chem_comp.pdbx_ideal_coordinates_missing_flag N _chem_comp.pdbx_model_coordinates_db_code 2BBQ _chem_comp.pdbx_subcomponent_list ? _chem_comp.pdbx_processing_site EBI # 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 PFG N1 N1 N 0 1 Y N N 13.205 18.640 30.577 -5.870 -4.730 -6.236 N1 PFG 1 PFG C2 C2 C 0 1 Y N N 12.932 19.467 31.588 -5.210 -3.641 -6.760 C2 PFG 2 PFG NA2 NA2 N 0 1 N N N 11.998 20.402 31.512 -6.049 -2.750 -7.381 NA2 PFG 3 PFG N3 N3 N 0 1 Y N N 13.612 19.367 32.731 -3.919 -3.444 -6.693 N3 PFG 4 PFG C4 C4 C 0 1 Y N N 14.607 18.494 32.878 -3.119 -4.377 -6.056 C4 PFG 5 PFG O4 O4 O 0 1 N N N 15.378 18.584 34.007 -1.903 -4.249 -5.960 O4 PFG 6 PFG C4A C4A C 0 1 Y N N 14.870 17.553 31.885 -3.756 -5.584 -5.462 C4A PFG 7 PFG C5 C5 C 0 1 Y N N 15.791 16.509 32.057 -2.994 -6.556 -4.808 C5 PFG 8 PFG C6 C6 C 0 1 Y N N 16.035 15.589 31.034 -3.631 -7.668 -4.269 C6 PFG 9 PFG C7 C7 C 0 1 Y N N 15.341 15.748 29.842 -5.010 -7.820 -4.373 C7 PFG 10 PFG C8 C8 C 0 1 Y N N 14.426 16.787 29.698 -5.768 -6.847 -5.027 C8 PFG 11 PFG C8A C8A C 0 1 Y N N 14.162 17.688 30.708 -5.145 -5.723 -5.576 C8A PFG 12 PFG C9 C9 C 0 1 N N N 16.894 14.358 31.227 -2.822 -8.718 -3.565 C9 PFG 13 PFG N10 N10 N 0 1 N N S 17.079 13.807 32.583 -2.690 -8.443 -2.148 N10 PFG 14 PFG CP1 CP1 C 0 1 N N N 18.469 13.740 32.995 -1.479 -7.813 -1.662 CP1 PFG 15 PFG CP2 CP2 C 0 1 N N N 18.768 14.980 33.747 -1.684 -6.375 -1.471 CP2 PFG 16 PFG CP3 CP3 C 0 1 N N N 19.088 16.004 34.302 -1.848 -5.196 -1.314 CP3 PFG 17 PFG C11 C11 C 0 1 Y N N 16.106 13.601 33.504 -5.737 -9.486 0.498 C11 PFG 18 PFG C12 C12 C 0 1 Y N N 14.778 13.386 33.115 -4.599 -8.887 0.996 C12 PFG 19 PFG C13 C13 C 0 1 Y N N 13.760 13.316 34.055 -3.579 -8.538 0.111 C13 PFG 20 PFG C14 C14 C 0 1 Y N N 13.999 13.424 35.412 -3.721 -8.795 -1.253 C14 PFG 21 PFG C15 C15 C 0 1 Y N N 15.308 13.640 35.825 -4.883 -9.402 -1.731 C15 PFG 22 PFG C16 C16 C 0 1 Y N N 16.345 13.722 34.882 -5.902 -9.751 -0.846 C16 PFG 23 PFG C C C 0 1 N N N 12.904 13.166 36.362 -6.824 -9.857 1.441 C PFG 24 PFG O O O 0 1 N N N 11.716 13.019 35.994 -6.546 -10.084 2.616 O PFG 25 PFG NP1 NP1 N 0 1 N N N 13.240 13.053 37.672 -8.105 -9.896 0.909 NP1 PFG 26 PFG CA1 CA1 C 0 1 N N S 12.344 12.634 38.783 -9.265 -10.215 1.702 CA1 PFG 27 PFG CB1 CB1 C 0 1 N N N 11.951 11.144 38.634 -10.544 -9.584 1.146 CB1 PFG 28 PFG CG1 CG1 C 0 1 N N N 13.096 10.148 38.509 -10.512 -8.054 1.134 CG1 PFG 29 PFG CD1 CD1 C 0 1 N N N 12.605 8.810 37.994 -11.794 -7.423 0.618 CD1 PFG 30 PFG OE1 OE1 O 0 1 N N N 12.515 8.627 36.770 -12.757 -8.076 0.225 OE1 PFG 31 PFG CT1 CT1 C 0 1 N N N 12.997 12.847 40.157 -9.383 -11.726 1.705 CT1 PFG 32 PFG O11 O11 O 0 1 N N N 12.292 12.844 41.152 -9.113 -12.457 0.761 O11 PFG 33 PFG O21 O21 O 0 1 N N N 14.207 13.021 40.256 -9.881 -12.193 2.880 O21 PFG 34 PFG NP2 NP2 N 0 1 N N N 12.953 7.820 38.833 -11.720 -6.037 0.624 NP2 PFG 35 PFG CA2 CA2 C 0 1 N N S 12.171 6.557 39.000 -12.798 -5.197 0.157 CA2 PFG 36 PFG CB2 CB2 C 0 1 N N N 12.250 6.138 40.495 -13.741 -4.775 1.286 CB2 PFG 37 PFG CG2 CG2 C 0 1 N N N 11.729 4.722 40.925 -13.036 -4.032 2.422 CG2 PFG 38 PFG CD2 CD2 C 0 1 N N N 11.944 4.316 42.401 -13.962 -3.644 3.563 CD2 PFG 39 PFG OE2 OE2 O 0 1 N N N 11.827 5.134 43.331 -15.167 -3.882 3.564 OE2 PFG 40 PFG CT2 CT2 C 0 1 N N N 10.703 6.597 38.552 -12.152 -3.977 -0.471 CT2 PFG 41 PFG O12 O12 O 0 1 N N N 9.981 7.514 38.983 -11.131 -3.433 -0.070 O12 PFG 42 PFG O22 O22 O 0 1 N N N 10.307 5.688 37.798 -12.872 -3.508 -1.523 O22 PFG 43 PFG NP3 NP3 N 0 1 N N N 12.591 3.156 42.568 -13.281 -2.974 4.569 NP3 PFG 44 PFG CA3 CA3 C 0 1 N N S 13.135 2.647 43.858 -13.936 -2.473 5.754 CA3 PFG 45 PFG CB3 CB3 C 0 1 N N N 11.965 1.861 44.493 -12.989 -2.388 6.954 CB3 PFG 46 PFG CG3 CG3 C 0 1 N N N 12.319 0.728 45.445 -12.429 -3.745 7.384 CG3 PFG 47 PFG CD3 CD3 C 0 1 N N N 11.190 -0.277 45.581 -13.502 -4.754 7.759 CD3 PFG 48 PFG OE3 OE3 O 0 1 N N N 10.987 -1.167 44.737 -14.703 -4.499 7.741 OE3 PFG 49 PFG CT3 CT3 C 0 1 N N N 14.405 1.799 43.574 -14.466 -1.096 5.406 CT3 PFG 50 PFG O13 O13 O 0 1 N N N 14.717 1.601 42.385 -13.908 -0.289 4.673 O13 PFG 51 PFG O23 O23 O 0 1 N N N 15.163 1.458 44.487 -15.632 -0.824 6.048 O23 PFG 52 PFG NP4 NP4 N 0 1 N N N 10.196 0.242 46.314 -12.950 -5.968 8.141 NP4 PFG 53 PFG CA4 CA4 C 0 1 N N R ? ? ? -13.754 -7.089 8.571 CA4 PFG 54 PFG CB4 CB4 C 0 1 N N N ? ? ? -14.001 -7.077 10.089 CB4 PFG 55 PFG CG4 CG4 C 0 1 N N N ? ? ? -12.753 -7.075 10.976 CG4 PFG 56 PFG CD4 CD4 C 0 1 N N N ? ? ? -13.051 -6.966 12.451 CD4 PFG 57 PFG OE4 OE4 O 0 1 N N N ? ? ? -14.182 -6.966 12.921 OE4 PFG 58 PFG OE OE O 0 1 N N N ? ? ? -11.929 -6.880 13.207 OE PFG 59 PFG CT4 CT4 C 0 1 N N N ? ? ? -13.069 -8.364 8.111 CT4 PFG 60 PFG O14 O14 O 0 1 N N N ? ? ? -13.517 -9.496 8.238 O14 PFG 61 PFG O24 O24 O 0 1 N N N ? ? ? -11.868 -8.113 7.526 O24 PFG 62 PFG HN1 HN1 H 0 1 N N N 12.701 18.723 29.717 -6.874 -4.832 -6.320 HN1 PFG 63 PFG HN21 1HN2 H 0 0 N N N 11.937 20.922 32.364 -6.842 -3.107 -7.859 HN21 PFG 64 PFG HN22 2HN2 H 0 0 N N N 11.428 20.567 30.707 -5.829 -1.783 -7.326 HN22 PFG 65 PFG H5 H5 H 0 1 N N N 16.319 16.415 32.994 -1.916 -6.453 -4.717 H5 PFG 66 PFG H7 H7 H 0 1 N N N 15.512 15.064 29.024 -5.507 -8.689 -3.951 H7 PFG 67 PFG H8 H8 H 0 1 N N N 13.903 16.892 28.759 -6.845 -6.974 -5.104 H8 PFG 68 PFG H91 1H9 H 0 1 N N N 16.427 13.560 30.631 -3.289 -9.703 -3.675 H91 PFG 69 PFG H92 2H9 H 0 1 N N N 17.902 14.690 30.936 -1.814 -8.787 -3.988 H92 PFG 70 PFG HP11 1HP1 H 0 0 N N N 18.633 12.860 33.634 -1.185 -8.283 -0.718 HP11 PFG 71 PFG HP12 2HP1 H 0 0 N N N 19.129 13.649 32.119 -0.670 -7.985 -2.379 HP12 PFG 72 PFG HP3 HP3 H 0 1 N N N 19.369 16.903 34.789 -1.995 -4.150 -1.174 HP3 PFG 73 PFG H12 H12 H 0 1 N N N 14.543 13.273 32.067 -4.478 -8.682 2.057 H12 PFG 74 PFG H13 H13 H 0 1 N N N 12.745 13.172 33.714 -2.678 -8.066 0.493 H13 PFG 75 PFG H15 H15 H 0 1 N N N 15.529 13.745 36.877 -5.004 -9.605 -2.792 H15 PFG 76 PFG H16 H16 H 0 1 N N N 17.356 13.883 35.227 -6.803 -10.223 -1.230 H16 PFG 77 PFG HNP1 1HNP H 0 0 N N N 14.185 13.274 37.915 -8.262 -9.633 -0.061 HNP1 PFG 78 PFG HA1 HA1 H 0 1 N N N 11.444 13.264 38.723 -9.041 -9.870 2.717 HA1 PFG 79 PFG HB11 1HB1 H 0 0 N N N 11.377 10.868 39.531 -10.705 -9.935 0.118 HB11 PFG 80 PFG HB12 2HB1 H 0 0 N N N 11.398 11.078 37.686 -11.410 -9.928 1.726 HB12 PFG 81 PFG HG11 1HG1 H 0 0 N N N 13.841 10.548 37.806 -10.291 -7.663 2.134 HG11 PFG 82 PFG HG12 2HG1 H 0 0 N N N 13.538 9.998 39.505 -9.704 -7.725 0.469 HG12 PFG 83 PFG HO21 1HO2 H 0 0 N N N 14.437 13.138 41.170 -10.012 -13.164 2.923 HO21 PFG 84 PFG HNP2 2HNP H 0 0 N N N 13.784 7.935 39.378 -10.873 -5.596 0.972 HNP2 PFG 85 PFG HA2 HA2 H 0 1 N N N 12.635 5.826 38.322 -13.313 -5.770 -0.620 HA2 PFG 86 PFG HB21 1HB2 H 0 0 N N N 13.315 6.172 40.769 -14.525 -4.121 0.879 HB21 PFG 87 PFG HB22 2HB2 H 0 0 N N N 11.571 6.838 41.004 -14.257 -5.656 1.688 HB22 PFG 88 PFG HG21 1HG2 H 0 0 N N N 10.645 4.707 40.741 -12.204 -4.626 2.816 HG21 PFG 89 PFG HG22 2HG2 H 0 0 N N N 12.319 4.004 40.337 -12.613 -3.101 2.025 HG22 PFG 90 PFG HO22 2HO2 H 0 0 N N N 9.383 5.810 37.612 -12.517 -2.697 -1.945 HO22 PFG 91 PFG HNP3 3HNP H 0 0 N N N 12.720 2.583 41.759 -12.280 -2.829 4.467 HNP3 PFG 92 PFG HA3 HA3 H 0 1 N N N 13.469 3.428 44.557 -14.779 -3.146 5.940 HA3 PFG 93 PFG HB31 1HB3 H 0 0 N N N 11.366 2.585 45.065 -12.146 -1.729 6.705 HB31 PFG 94 PFG HB32 2HB3 H 0 0 N N N 11.454 1.376 43.648 -13.503 -1.917 7.801 HB32 PFG 95 PFG HG31 1HG3 H 0 0 N N N 13.207 0.208 45.057 -11.791 -4.167 6.600 HG31 PFG 96 PFG HG32 2HG3 H 0 0 N N N 12.508 1.164 46.437 -11.803 -3.602 8.273 HG32 PFG 97 PFG HO23 3HO2 H 0 0 N N N 15.943 1.059 44.119 -16.001 0.070 5.885 HO23 PFG 98 PFG HNP4 4HNP H 0 0 N N N 9.878 0.479 47.232 -11.940 -6.073 8.119 HNP4 PFG 99 PFG HA4 HA4 H 0 1 N N N ? ? ? -14.715 -7.018 8.048 HA4 PFG 100 PFG HB41 1HB4 H 0 0 N N N ? ? ? -14.641 -7.929 10.351 HB41 PFG 101 PFG HB42 2HB4 H 0 0 N N N ? ? ? -14.579 -6.178 10.336 HB42 PFG 102 PFG HG41 1HG4 H 0 0 N N N ? ? ? -12.145 -7.971 10.810 HG41 PFG 103 PFG HG42 2HG4 H 0 0 N N N ? ? ? -12.110 -6.227 10.710 HG42 PFG 104 PFG HOE HOE H 0 1 N N N ? ? ? -12.082 -6.818 14.175 HOE PFG 105 PFG HO24 4HO2 H 0 0 N N N ? ? ? -11.382 -8.904 7.211 HO24 PFG 106 # 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 PFG N1 C2 SING Y N 1 PFG N1 C8A SING Y N 2 PFG N1 HN1 SING N N 3 PFG C2 NA2 SING N N 4 PFG C2 N3 DOUB Y N 5 PFG NA2 HN21 SING N N 6 PFG NA2 HN22 SING N N 7 PFG N3 C4 SING Y N 8 PFG C4 O4 DOUB N N 9 PFG C4 C4A SING Y N 10 PFG C4A C5 DOUB Y N 11 PFG C4A C8A SING Y N 12 PFG C5 C6 SING Y N 13 PFG C5 H5 SING N N 14 PFG C6 C7 DOUB Y N 15 PFG C6 C9 SING N N 16 PFG C7 C8 SING Y N 17 PFG C7 H7 SING N N 18 PFG C8 C8A DOUB Y N 19 PFG C8 H8 SING N N 20 PFG C9 N10 SING N N 21 PFG C9 H91 SING N N 22 PFG C9 H92 SING N N 23 PFG N10 CP1 SING N N 24 PFG N10 C14 SING N N 25 PFG CP1 CP2 SING N N 26 PFG CP1 HP11 SING N N 27 PFG CP1 HP12 SING N N 28 PFG CP2 CP3 TRIP N N 29 PFG CP3 HP3 SING N N 30 PFG C11 C12 DOUB Y N 31 PFG C11 C16 SING Y N 32 PFG C11 C SING N N 33 PFG C12 C13 SING Y N 34 PFG C12 H12 SING N N 35 PFG C13 C14 DOUB Y N 36 PFG C13 H13 SING N N 37 PFG C14 C15 SING Y N 38 PFG C15 C16 DOUB Y N 39 PFG C15 H15 SING N N 40 PFG C16 H16 SING N N 41 PFG C O DOUB N N 42 PFG C NP1 SING N N 43 PFG NP1 CA1 SING N N 44 PFG NP1 HNP1 SING N N 45 PFG CA1 CB1 SING N N 46 PFG CA1 CT1 SING N N 47 PFG CA1 HA1 SING N N 48 PFG CB1 CG1 SING N N 49 PFG CB1 HB11 SING N N 50 PFG CB1 HB12 SING N N 51 PFG CG1 CD1 SING N N 52 PFG CG1 HG11 SING N N 53 PFG CG1 HG12 SING N N 54 PFG CD1 OE1 DOUB N N 55 PFG CD1 NP2 SING N N 56 PFG CT1 O11 DOUB N N 57 PFG CT1 O21 SING N N 58 PFG O21 HO21 SING N N 59 PFG NP2 CA2 SING N N 60 PFG NP2 HNP2 SING N N 61 PFG CA2 CB2 SING N N 62 PFG CA2 CT2 SING N N 63 PFG CA2 HA2 SING N N 64 PFG CB2 CG2 SING N N 65 PFG CB2 HB21 SING N N 66 PFG CB2 HB22 SING N N 67 PFG CG2 CD2 SING N N 68 PFG CG2 HG21 SING N N 69 PFG CG2 HG22 SING N N 70 PFG CD2 OE2 DOUB N N 71 PFG CD2 NP3 SING N N 72 PFG CT2 O12 DOUB N N 73 PFG CT2 O22 SING N N 74 PFG O22 HO22 SING N N 75 PFG NP3 CA3 SING N N 76 PFG NP3 HNP3 SING N N 77 PFG CA3 CB3 SING N N 78 PFG CA3 CT3 SING N N 79 PFG CA3 HA3 SING N N 80 PFG CB3 CG3 SING N N 81 PFG CB3 HB31 SING N N 82 PFG CB3 HB32 SING N N 83 PFG CG3 CD3 SING N N 84 PFG CG3 HG31 SING N N 85 PFG CG3 HG32 SING N N 86 PFG CD3 OE3 DOUB N N 87 PFG CD3 NP4 SING N N 88 PFG CT3 O13 DOUB N N 89 PFG CT3 O23 SING N N 90 PFG O23 HO23 SING N N 91 PFG NP4 CA4 SING N N 92 PFG NP4 HNP4 SING N N 93 PFG CA4 CB4 SING N N 94 PFG CA4 CT4 SING N N 95 PFG CA4 HA4 SING N N 96 PFG CB4 CG4 SING N N 97 PFG CB4 HB41 SING N N 98 PFG CB4 HB42 SING N N 99 PFG CG4 CD4 SING N N 100 PFG CG4 HG41 SING N N 101 PFG CG4 HG42 SING N N 102 PFG CD4 OE4 DOUB N N 103 PFG CD4 OE SING N N 104 PFG OE HOE SING N N 105 PFG CT4 O14 DOUB N N 106 PFG CT4 O24 SING N N 107 PFG O24 HO24 SING N N 108 # 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 PFG SMILES ACDLabs 10.04 "O=C(O)C(NC(=O)CCC(C(=O)O)NC(=O)CCC(C(=O)O)NC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)N(CC#C)Cc2ccc3NC(=NC(=O)c3c2)N)CCC(=O)O" PFG SMILES_CANONICAL CACTVS 3.341 "NC1=NC(=O)c2cc(CN(CC#C)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)NC(CCC(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O)ccc2N1" PFG SMILES CACTVS 3.341 "NC1=NC(=O)c2cc(CN(CC#C)c3ccc(cc3)C(=O)N[CH](CCC(=O)N[CH](CCC(=O)N[CH](CCC(=O)NC(CCC(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O)ccc2N1" PFG SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 "C#CC[N@](Cc1ccc2c(c1)C(=O)N=C(N2)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O" PFG SMILES "OpenEye OEToolkits" 1.5.0 "C#CCN(Cc1ccc2c(c1)C(=O)N=C(N2)N)c3ccc(cc3)C(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O" PFG InChI InChI 1.03 ;InChI=1S/C39H44N8O15/c1-2-17-47(19-20-3-8-24-23(18-20)34(54)46-39(40)45-24)22-6-4-21(5-7-22)33(53)44-28(38(61)62)11-15-31(50)42-26(36(57)58)9-13-29(48)41-25(35(55)56)10-14-30(49)43-27(37(59)60)12-16-32(51)52/h1,3-8,18,25-28H,9-17,19H2,(H,41,48)(H,42,50)(H,43,49)(H,44,53)(H,51,52)(H,55,56)(H,57,58)(H,59,60)(H,61,62)(H3,40,45,46,54)/t25-,26-,27?,28-/m0/s1 ; PFG InChIKey InChI 1.03 SASAWWASHFSVQE-QGMKSFRFSA-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 PFG "SYSTEMATIC NAME" ACDLabs 10.04 "N-[(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)methyl](prop-2-yn-1-yl)amino}phenyl)carbonyl]-L-gamma-glutamyl-L-gamma-glutamyl-L-gamma-glutamylglutamic acid" PFG "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "(2R)-2-[[(4S)-4-[[(4S)-4-[[(4S)-4-[[4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]phenyl]carbonylamino]-5-hydroxy-5-oxo-pentanoyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]pentanedioic acid" # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site PFG "Create component" 1999-07-08 EBI PFG "Modify descriptor" 2011-06-04 RCSB #