data_GAH # _chem_comp.id GAH _chem_comp.name "N-{[(2S)-1-(N-{[4-({[AMINO(IMINO)METHYL]AMINO}METHYL)CYCLOHEXYL]CARBONYL}-3-CYCLOHEXYL-L-ALANYL)AZETIDIN-2-YL]CARBONYL}-L-TYROSYL-N~6~-[AMINO(IMINO)METHYL]-L-LYSINAMIDE" _chem_comp.type peptide-like _chem_comp.pdbx_type HETAIN _chem_comp.formula "C38 H61 N11 O6" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms "TRANS-4-(GUANIDINOMETHYL)-CYCLOHEXANE-L-YL-D-3-CYCLOHEXYLALANYL-L-AZETIDINE-2-YL-D-TYROSINYL-L-HOMOARGININAMIDE" _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2004-10-14 _chem_comp.pdbx_modified_date 2021-03-01 _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 767.961 _chem_comp.one_letter_code ? _chem_comp.three_letter_code GAH _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 ? _chem_comp.pdbx_subcomponent_list "029 ZAL 02A DTY HRG NH2" _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 GAH C1 C1 C 0 1 N N N 13.465 -19.277 10.611 -5.198 -1.918 -1.978 C1 029 1 GAH C6 C6 C 0 1 N N N 14.054 -20.195 11.842 -6.479 -2.703 -1.691 C6 029 2 GAH C7 C7 C 0 1 N N N 15.188 -21.327 11.607 -6.120 -4.063 -1.088 C7 029 3 GAH N8 N8 N 0 1 N N N 15.811 -21.794 12.925 -7.338 -4.860 -0.923 N8 029 4 GAH C9 C9 C 0 1 N N N 15.204 -22.820 13.652 -7.263 -6.128 -0.396 C9 029 5 GAH N11 N11 N 0 1 N N N 15.080 -24.048 13.101 -8.347 -6.838 -0.249 N11 029 6 GAH N10 N10 N 0 1 N N N 14.739 -22.588 14.876 -6.046 -6.647 -0.023 N10 029 7 GAH C5 C5 C 0 1 N N N 14.540 -19.209 12.947 -7.345 -1.920 -0.702 C5 029 8 GAH C4 C4 C 0 1 N N N 13.543 -18.092 13.412 -7.704 -0.560 -1.304 C4 029 9 GAH C3 C3 C 0 1 N N N 12.103 -18.096 12.836 -6.423 0.225 -1.592 C3 029 10 GAH C12 C12 C 0 1 N N N 11.376 -16.896 13.516 -5.660 0.429 -0.309 C12 029 11 GAH O13 O13 O 0 1 N N N 11.107 -16.916 14.734 -6.098 -0.009 0.734 O13 029 12 GAH C2 C2 C 0 1 N N N 12.321 -18.177 11.158 -5.556 -0.559 -2.581 C2 029 13 GAH C18 C18 C 0 1 N N N 8.697 -14.115 10.287 -4.480 3.774 0.594 C1 ZAL 14 GAH C23 C23 C 0 1 N N N 7.607 -14.673 11.408 -5.419 4.868 1.109 C2 ZAL 15 GAH C22 C22 C 0 1 N N N 6.162 -14.738 10.792 -5.454 6.023 0.106 C3 ZAL 16 GAH C21 C21 C 0 1 N N N 5.675 -13.307 10.305 -4.045 6.597 -0.060 C4 ZAL 17 GAH C20 C20 C 0 1 N N N 6.698 -12.650 9.282 -3.107 5.504 -0.575 C5 ZAL 18 GAH C19 C19 C 0 1 N N N 8.159 -12.634 9.830 -3.072 4.348 0.428 C6 ZAL 19 GAH N14 N14 N 0 1 N N N 11.010 -15.929 12.559 -4.490 1.099 -0.319 N ZAL 20 GAH C15 C15 C 0 1 N N R 10.393 -14.547 12.344 -3.804 1.394 0.941 CA ZAL 21 GAH C16 C16 C 0 1 N N N 10.172 -14.001 10.857 -4.445 2.619 1.597 CB ZAL 22 GAH C17 C17 C 0 1 N N N 10.960 -13.364 13.273 -2.349 1.675 0.667 C ZAL 23 GAH O24 O24 O 0 1 N N N 12.119 -13.145 13.131 -1.931 1.650 -0.472 O ZAL 24 GAH N25 N25 N 0 1 N N N 10.277 -12.486 14.217 -1.513 1.955 1.686 N25 02A 25 GAH C28 C28 C 0 1 N N S 10.293 -11.117 14.835 -0.084 2.272 1.826 C28 02A 26 GAH C29 C29 C 0 1 N N N 11.592 -11.103 15.772 0.800 1.489 0.890 C29 02A 27 GAH O30 O30 O 0 1 N N N 11.510 -11.910 16.734 0.310 0.689 0.121 O30 02A 28 GAH C27 C27 C 0 1 N N N 9.068 -11.512 15.508 -0.148 1.684 3.243 C27 02A 29 GAH C26 C26 C 0 1 N N N 9.047 -12.946 14.871 -1.629 2.084 3.146 C26 02A 30 GAH N31 N31 N 0 1 N N N 12.804 -10.323 15.684 2.135 1.676 0.908 N DTY 31 GAH C32 C32 C 0 1 N N R 14.178 -10.667 16.299 2.993 0.915 -0.002 CA DTY 32 GAH C41 C41 C 0 1 N N N 15.042 -11.974 16.171 4.269 1.679 -0.246 C DTY 33 GAH O42 O42 O 0 1 N N N 16.115 -11.956 16.791 4.444 2.754 0.288 O DTY 34 GAH C33 C33 C 0 1 N N N 15.115 -9.399 15.901 3.323 -0.442 0.624 CB DTY 35 GAH C34 C34 C 0 1 Y N N 15.760 -9.418 14.420 2.061 -1.255 0.755 CG DTY 36 GAH C39 C39 C 0 1 Y N N 16.957 -10.197 14.180 1.666 -2.086 -0.276 CD1 DTY 37 GAH C35 C35 C 0 1 Y N N 15.223 -8.658 13.262 1.304 -1.172 1.909 CD2 DTY 38 GAH C38 C38 C 0 1 Y N N 17.613 -10.252 12.891 0.509 -2.832 -0.159 CE1 DTY 39 GAH C36 C36 C 0 1 Y N N 15.917 -8.719 11.928 0.143 -1.912 2.029 CE2 DTY 40 GAH C37 C37 C 0 1 Y N N 17.119 -9.527 11.763 -0.256 -2.747 0.996 CZ DTY 41 GAH O40 O40 O 0 1 N N N 17.799 -9.617 10.547 -1.394 -3.480 1.114 OH DTY 42 GAH N43 N43 N 0 1 N N N 14.939 -13.134 15.547 5.216 1.167 -1.057 N HRG 43 GAH C44 C44 C 0 1 N N S 15.570 -14.345 15.106 6.457 1.910 -1.295 CA HRG 44 GAH C48 C48 C 0 1 N N N 14.601 -15.488 15.481 7.568 0.935 -1.687 CB HRG 45 GAH C50 C50 C 0 1 N N N 13.100 -16.751 17.294 8.983 -0.969 -0.901 CG HRG 46 GAH C49 C49 C 0 1 N N N 14.113 -15.605 16.928 7.871 0.007 -0.509 "CG'" HRG 47 GAH C51 C51 C 0 1 N N N 12.748 -16.644 18.815 9.286 -1.897 0.277 CD HRG 48 GAH N52 N52 N 0 1 N N N 11.761 -17.682 19.273 10.351 -2.831 -0.099 NE HRG 49 GAH C53 C53 C 0 1 N N N 10.910 -17.481 20.279 10.794 -3.767 0.805 CZ HRG 50 GAH N55 N55 N 0 1 N N N 10.811 -16.386 20.999 10.268 -3.823 1.997 NH1 HRG 51 GAH N54 N54 N 0 1 N N N 10.076 -18.498 20.581 11.793 -4.643 0.453 NH2 HRG 52 GAH C45 C45 C 0 1 N N N 15.929 -14.351 13.589 6.242 2.902 -2.409 C HRG 53 GAH O46 O46 O 0 1 N N N 15.490 -15.150 12.851 5.161 2.981 -2.951 O HRG 54 GAH N47 N47 N 0 1 N N N 16.790 -13.372 13.045 7.253 3.702 -2.802 N NH2 55 GAH H11A H11A H 0 0 N N N 14.297 -18.724 10.151 -4.646 -1.770 -1.050 H11A 029 56 GAH H12 H12 H 0 1 N N N 12.994 -19.939 9.869 -4.581 -2.476 -2.683 H12 029 57 GAH H6 H6 H 0 1 N N N 13.196 -20.840 12.084 -7.031 -2.851 -2.619 H6 029 58 GAH H71 H71 H 0 1 N N N 14.724 -22.192 11.111 -5.432 -4.584 -1.753 H71 029 59 GAH H72 H72 H 0 1 N N N 15.981 -20.904 10.973 -5.648 -3.917 -0.117 H72 029 60 GAH HN8 HN8 H 0 1 N N N 16.649 -21.366 13.264 -8.197 -4.494 -1.186 HN8 029 61 GAH H11 H11 H 0 1 N N N 14.622 -24.690 13.716 -8.294 -7.732 0.123 H11 029 62 GAH H101 H101 H 0 0 N N N 14.297 -23.323 15.390 -5.240 -6.119 -0.133 H101 029 63 GAH H102 H102 H 0 0 N N N 14.832 -21.679 15.282 -5.993 -7.541 0.348 H102 029 64 GAH H51 H51 H 0 1 N N N 14.776 -19.815 13.834 -8.258 -2.479 -0.497 H51 029 65 GAH H52A H52A H 0 0 N N N 15.429 -18.698 12.550 -6.794 -1.772 0.227 H52A 029 66 GAH H41 H41 H 0 1 N N N 13.444 -18.195 14.503 -8.256 -0.708 -2.233 H41 029 67 GAH H42 H42 H 0 1 N N N 13.993 -17.131 13.123 -8.321 -0.002 -0.600 H42 029 68 GAH H3 H3 H 0 1 N N N 11.421 -18.933 13.047 -6.678 1.193 -2.021 H3 029 69 GAH H21 H21 H 0 1 N N N 12.640 -17.179 10.821 -4.643 0.000 -2.786 H21 029 70 GAH H22 H22 H 0 1 N N N 11.355 -18.463 10.716 -6.108 -0.707 -3.509 H22 029 71 GAH H18 H18 H 0 1 N N N 8.757 -14.824 9.448 -4.840 3.410 -0.368 H1 ZAL 72 GAH H231 H231 H 0 0 N N N 7.906 -15.681 11.730 -6.422 4.459 1.227 H2 ZAL 73 GAH H232 H232 H 0 0 N N N 7.599 -13.992 12.272 -5.059 5.232 2.071 H2A ZAL 74 GAH H221 H221 H 0 0 N N N 6.174 -15.421 9.930 -5.813 5.659 -0.856 H3 ZAL 75 GAH H222 H222 H 0 0 N N N 5.465 -15.108 11.559 -6.122 6.802 0.473 H3A ZAL 76 GAH H211 H211 H 0 0 N N N 4.700 -13.417 9.807 -4.070 7.420 -0.774 H4 ZAL 77 GAH H212 H212 H 0 0 N N N 5.582 -12.649 11.182 -3.685 6.961 0.902 H4A ZAL 78 GAH H201 H201 H 0 0 N N N 6.681 -13.232 8.349 -3.466 5.139 -1.537 H5 ZAL 79 GAH H202 H202 H 0 0 N N N 6.385 -11.613 9.093 -2.103 5.912 -0.693 H5A ZAL 80 GAH H191 H191 H 0 0 N N N 8.190 -11.971 10.707 -2.712 4.713 1.390 H6 ZAL 81 GAH H192 H192 H 0 0 N N N 8.820 -12.258 9.035 -2.403 3.569 0.061 H6A ZAL 82 GAH H14 H14 H 0 1 N N N 11.250 -16.293 11.659 -4.104 1.387 -1.161 HN ZAL 83 GAH H15 H15 H 0 1 N N N 9.387 -14.829 12.688 -3.889 0.538 1.610 HA ZAL 84 GAH H161 H161 H 0 0 N N N 10.443 -12.935 10.855 -5.461 2.375 1.906 HB ZAL 85 GAH H162 H162 H 0 0 N N N 10.826 -14.584 10.193 -3.860 2.912 2.469 HBA ZAL 86 GAH H28 H28 H 0 1 N N N 10.328 -10.151 14.311 0.127 3.342 1.809 H28 02A 87 GAH H271 H271 H 0 0 N N N 9.115 -11.493 16.607 0.026 0.609 3.288 H271 02A 88 GAH H272 H272 H 0 0 N N N 8.191 -10.889 15.278 0.417 2.246 3.986 H272 02A 89 GAH H261 H261 H 0 0 N N N 8.189 -13.249 14.253 -1.826 3.104 3.478 H261 02A 90 GAH H262 H262 H 0 0 N N N 9.083 -13.828 15.527 -2.307 1.357 3.593 H262 02A 91 GAH H31 H31 H 0 1 N N N 12.747 -9.468 15.169 2.526 2.316 1.523 H DTY 92 GAH H32 H32 H 0 1 N N N 13.846 -10.908 17.319 2.475 0.762 -0.948 HA DTY 93 GAH H331 H331 H 0 0 N N N 14.489 -8.497 15.972 4.033 -0.972 -0.011 HB2 DTY 94 GAH H332 H332 H 0 0 N N N 15.948 -9.372 16.619 3.762 -0.290 1.610 HB3 DTY 95 GAH H39 H39 H 0 1 N N N 17.379 -10.762 14.999 2.261 -2.153 -1.175 HD1 DTY 96 GAH H35 H35 H 0 1 N N N 14.331 -8.060 13.378 1.617 -0.526 2.715 HD2 DTY 97 GAH H38 H38 H 0 1 N N N 18.500 -10.858 12.779 0.200 -3.481 -0.965 HE1 DTY 98 GAH H36 H36 H 0 1 N N N 15.523 -8.162 11.090 -0.451 -1.844 2.929 HE2 DTY 99 GAH H40 H40 H 0 1 N N N 17.356 -9.085 9.896 -1.260 -4.355 1.504 HH DTY 100 GAH H43 H43 H 0 1 N N N 13.988 -13.197 15.244 5.077 0.308 -1.484 HN1A HRG 101 GAH H44 H44 H 0 1 N N N 16.546 -14.462 15.599 6.742 2.440 -0.386 HA HRG 102 GAH H481 H481 H 0 0 N N N 13.703 -15.350 14.861 7.246 0.342 -2.543 HB1 HRG 103 GAH H482 H482 H 0 0 N N N 15.126 -16.427 15.254 8.466 1.494 -1.949 HB2 HRG 104 GAH H501 H501 H 0 0 N N N 12.185 -16.643 16.693 8.661 -1.561 -1.757 HG1 HRG 105 GAH H502 H502 H 0 0 N N N 13.557 -17.730 17.087 9.881 -0.410 -1.164 HG2 HRG 106 GAH H491 H491 H 0 0 N N N 15.007 -15.769 17.547 8.193 0.600 0.347 "HG'1" HRG 107 GAH H492 H492 H 0 0 N N N 13.610 -14.656 17.166 6.973 -0.552 -0.246 "HG'2" HRG 108 GAH H511 H511 H 0 0 N N N 13.675 -16.774 19.392 9.608 -1.304 1.133 HD1 HRG 109 GAH H512 H512 H 0 0 N N N 12.312 -15.651 18.998 8.388 -2.456 0.539 HD2 HRG 110 GAH H52 H52 H 0 1 N N N 11.742 -18.563 18.801 10.742 -2.789 -0.985 HNE HRG 111 GAH H55 H55 H 0 1 N N N 10.102 -16.461 21.700 10.581 -4.483 2.634 HN1 HRG 112 GAH H541 H541 H 0 0 N N N 9.417 -18.400 21.327 12.185 -4.601 -0.433 HN21 HRG 113 GAH H542 H542 H 0 0 N N N 10.117 -19.350 20.059 12.106 -5.303 1.091 HN22 HRG 114 GAH H471 H471 H 0 0 N N N 17.002 -13.380 12.068 8.119 3.639 -2.368 HN1 NH2 115 GAH H472 H472 H 0 0 N N N 17.187 -12.671 13.637 7.116 4.340 -3.519 HN2 NH2 116 # # 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 GAH C1 C6 SING N N 1 GAH C1 C2 SING N N 2 GAH C1 H11A SING N N 3 GAH C1 H12 SING N N 4 GAH C6 C7 SING N N 5 GAH C6 C5 SING N N 6 GAH C6 H6 SING N N 7 GAH C7 N8 SING N N 8 GAH C7 H71 SING N N 9 GAH C7 H72 SING N N 10 GAH N8 C9 SING N N 11 GAH N8 HN8 SING N N 12 GAH C9 N11 DOUB N N 13 GAH C9 N10 SING N N 14 GAH N11 H11 SING N N 15 GAH N10 H101 SING N N 16 GAH N10 H102 SING N N 17 GAH C5 C4 SING N N 18 GAH C5 H51 SING N N 19 GAH C5 H52A SING N N 20 GAH C4 C3 SING N N 21 GAH C4 H41 SING N N 22 GAH C4 H42 SING N N 23 GAH C3 C12 SING N N 24 GAH C3 C2 SING N N 25 GAH C3 H3 SING N N 26 GAH C12 N14 SING N N 27 GAH C12 O13 DOUB N N 28 GAH N14 C15 SING N N 29 GAH N14 H14 SING N N 30 GAH C15 C17 SING N N 31 GAH C15 C16 SING N N 32 GAH C15 H15 SING N N 33 GAH C17 N25 SING N N 34 GAH C17 O24 DOUB N N 35 GAH N25 C28 SING N N 36 GAH N25 C26 SING N N 37 GAH C28 C29 SING N N 38 GAH C28 C27 SING N N 39 GAH C28 H28 SING N N 40 GAH C29 N31 SING N N 41 GAH C29 O30 DOUB N N 42 GAH N31 C32 SING N N 43 GAH N31 H31 SING N N 44 GAH C32 C41 SING N N 45 GAH C32 C33 SING N N 46 GAH C32 H32 SING N N 47 GAH C41 N43 SING N N 48 GAH C41 O42 DOUB N N 49 GAH N43 C44 SING N N 50 GAH N43 H43 SING N N 51 GAH C44 C48 SING N N 52 GAH C44 C45 SING N N 53 GAH C44 H44 SING N N 54 GAH C48 C49 SING N N 55 GAH C48 H481 SING N N 56 GAH C48 H482 SING N N 57 GAH C49 C50 SING N N 58 GAH C49 H491 SING N N 59 GAH C49 H492 SING N N 60 GAH C50 C51 SING N N 61 GAH C50 H501 SING N N 62 GAH C50 H502 SING N N 63 GAH C51 N52 SING N N 64 GAH C51 H511 SING N N 65 GAH C51 H512 SING N N 66 GAH N52 C53 SING N N 67 GAH N52 H52 SING N N 68 GAH C53 N55 DOUB N N 69 GAH C53 N54 SING N N 70 GAH N55 H55 SING N N 71 GAH N54 H541 SING N N 72 GAH N54 H542 SING N N 73 GAH C45 N47 SING N N 74 GAH C45 O46 DOUB N N 75 GAH N47 H471 SING N N 76 GAH N47 H472 SING N N 77 GAH C33 C34 SING N N 78 GAH C33 H331 SING N N 79 GAH C33 H332 SING N N 80 GAH C27 C26 SING N N 81 GAH C27 H271 SING N N 82 GAH C27 H272 SING N N 83 GAH C26 H261 SING N N 84 GAH C26 H262 SING N N 85 GAH C16 C18 SING N N 86 GAH C16 H161 SING N N 87 GAH C16 H162 SING N N 88 GAH C2 H21 SING N N 89 GAH C2 H22 SING N N 90 GAH C18 C23 SING N N 91 GAH C18 C19 SING N N 92 GAH C18 H18 SING N N 93 GAH C23 C22 SING N N 94 GAH C23 H231 SING N N 95 GAH C23 H232 SING N N 96 GAH C22 C21 SING N N 97 GAH C22 H221 SING N N 98 GAH C22 H222 SING N N 99 GAH C21 C20 SING N N 100 GAH C21 H211 SING N N 101 GAH C21 H212 SING N N 102 GAH C20 C19 SING N N 103 GAH C20 H201 SING N N 104 GAH C20 H202 SING N N 105 GAH C19 H191 SING N N 106 GAH C19 H192 SING N N 107 GAH C34 C39 DOUB Y N 108 GAH C34 C35 SING Y N 109 GAH C39 C38 SING Y N 110 GAH C39 H39 SING N N 111 GAH C38 C37 DOUB Y N 112 GAH C38 H38 SING N N 113 GAH C37 O40 SING N N 114 GAH C37 C36 SING Y N 115 GAH O40 H40 SING N N 116 GAH C36 C35 DOUB Y N 117 GAH C36 H36 SING N N 118 GAH C35 H35 SING N N 119 # # 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 GAH SMILES ACDLabs 12.01 "O=C(NC(C(=O)NC(C(=O)N)CCCCNC(=[N@H])N)Cc1ccc(O)cc1)C4N(C(=O)C(NC(=O)C2CCC(CNC(=[N@H])N)CC2)CC3CCCCC3)CC4" GAH InChI InChI 1.03 "InChI=1S/C38H61N11O6/c39-32(51)28(8-4-5-18-44-37(40)41)46-34(53)29(20-24-11-15-27(50)16-12-24)47-35(54)31-17-19-49(31)36(55)30(21-23-6-2-1-3-7-23)48-33(52)26-13-9-25(10-14-26)22-45-38(42)43/h11-12,15-16,23,25-26,28-31,50H,1-10,13-14,17-22H2,(H2,39,51)(H,46,53)(H,47,54)(H,48,52)(H4,40,41,44)(H4,42,43,45)/t25-,26+,28-,29+,30+,31-/m0/s1" GAH InChIKey InChI 1.03 PCCHJIAHIWBHDQ-CNXMXSPQSA-N GAH SMILES_CANONICAL CACTVS 3.385 "NC(=N)NCCCC[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H]2CCN2C(=O)[C@@H](CC3CCCCC3)NC(=O)[C@H]4CC[C@H](CC4)CNC(N)=N)C(N)=O" GAH SMILES CACTVS 3.385 "NC(=N)NCCCC[CH](NC(=O)[CH](Cc1ccc(O)cc1)NC(=O)[CH]2CCN2C(=O)[CH](CC3CCCCC3)NC(=O)[CH]4CC[CH](CC4)CNC(N)=N)C(N)=O" GAH SMILES_CANONICAL "OpenEye OEToolkits" 1.7.5 "[H]/N=C(\N)/NCCCC[C@@H](C(=O)N)NC(=O)[C@@H](Cc1ccc(cc1)O)NC(=O)[C@@H]2CCN2C(=O)[C@@H](CC3CCCCC3)NC(=O)C4CCC(CC4)CN/C(=N/[H])/N" GAH SMILES "OpenEye OEToolkits" 1.7.5 "c1cc(ccc1CC(C(=O)NC(CCCCNC(=N)N)C(=O)N)NC(=O)C2CCN2C(=O)C(CC3CCCCC3)NC(=O)C4CCC(CC4)CNC(=N)N)O" # # 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 GAH "SYSTEMATIC NAME" ACDLabs 12.01 "N-{[(2S)-1-(N-{[cis-4-(carbamimidamidomethyl)cyclohexyl]carbonyl}-3-cyclohexyl-D-alanyl)azetidin-2-yl]carbonyl}-D-tyrosyl-N~6~-carbamimidoyl-L-lysinamide" GAH "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.7.0 "(2S)-N-[(2R)-1-[[(2S)-1-azanyl-6-carbamimidamido-1-oxo-hexan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxo-propan-2-yl]-1-[(2R)-2-[[4-(carbamimidamidomethyl)cyclohexyl]carbonylamino]-3-cyclohexyl-propanoyl]azetidine-2-carboxamide" # # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site GAH "Create component" 2004-10-14 RCSB GAH "Modify subcomponent list" 2011-02-24 RCSB GAH "Modify descriptor" 2011-06-04 RCSB GAH "Modify descriptor" 2012-01-05 RCSB GAH "Modify synonyms" 2021-03-01 PDBE # _pdbx_chem_comp_synonyms.ordinal 1 _pdbx_chem_comp_synonyms.comp_id GAH _pdbx_chem_comp_synonyms.name "TRANS-4-(GUANIDINOMETHYL)-CYCLOHEXANE-L-YL-D-3-CYCLOHEXYLALANYL-L-AZETIDINE-2-YL-D-TYROSINYL-L-HOMOARGININAMIDE" _pdbx_chem_comp_synonyms.provenance ? _pdbx_chem_comp_synonyms.type ? ##