data_BD8 # _chem_comp.id BD8 _chem_comp.name "N-undecanoyl-L-histidyl-L-phenylalanyl-N-methyl-N-(2-pyridin-2-ylethyl)-L-tyrosinamide" _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "C43 H57 N7 O5" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms ? _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2009-06-22 _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 751.957 _chem_comp.one_letter_code ? _chem_comp.three_letter_code BD8 _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 3HXE _chem_comp.pdbx_subcomponent_list ? _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 BD8 CAA CAA C 0 1 N N N -0.334 28.111 31.469 16.739 1.786 -0.719 CAA BD8 1 BD8 CAW CAW C 0 1 N N N -0.334 26.865 30.583 15.513 1.841 0.195 CAW BD8 2 BD8 CAX CAX C 0 1 N N N 0.112 25.617 31.342 14.270 1.421 -0.593 CAX BD8 3 BD8 CAY CAY C 0 1 N N N -0.013 24.349 30.459 13.045 1.476 0.321 CAY BD8 4 BD8 CAZ CAZ C 0 1 N N N 0.111 23.101 31.324 11.802 1.056 -0.467 CAZ BD8 5 BD8 CBA CBA C 0 1 N N N 1.311 22.240 30.908 10.576 1.111 0.447 CBA BD8 6 BD8 CBB CBB C 0 1 N N N 1.124 21.656 29.510 9.333 0.692 -0.341 CBB BD8 7 BD8 CBC CBC C 0 1 N N N 2.204 22.217 28.609 8.108 0.746 0.573 CBC BD8 8 BD8 CBD CBD C 0 1 N N N 3.363 21.243 28.495 6.865 0.327 -0.215 CBD BD8 9 BD8 CBE CBE C 0 1 N N N 3.216 20.585 27.147 5.639 0.381 0.699 CBE BD8 10 BD8 CBQ CBQ C 0 1 N N N 4.463 19.826 26.812 4.415 -0.032 -0.077 CBQ BD8 11 BD8 OAC OAC O 0 1 N N N 5.597 20.279 27.051 4.514 -0.340 -1.246 OAC BD8 12 BD8 NBM NBM N 0 1 N N N 4.134 18.675 26.254 3.211 -0.059 0.528 NBM BD8 13 BD8 CCA CCA C 0 1 N N S 5.063 17.626 25.784 2.021 -0.461 -0.226 CCA BD8 14 BD8 CBJ CBJ C 0 1 N N N 4.372 16.523 24.889 1.900 -1.986 -0.212 CBJ BD8 15 BD8 CBY CBY C 0 1 Y N N 2.849 16.481 24.920 3.064 -2.590 -0.953 CBY BD8 16 BD8 CAV CAV C 0 1 Y N N 2.030 16.718 23.910 3.920 -3.510 -0.468 CAV BD8 17 BD8 NBP NBP N 0 1 Y N N 0.799 16.583 24.382 4.818 -3.780 -1.465 NBP BD8 18 BD8 CAU CAU C 0 1 Y N N 0.845 16.250 25.666 4.480 -3.016 -2.525 CAU BD8 19 BD8 NBL NBL N 0 1 Y N N 2.122 16.197 25.990 3.427 -2.311 -2.214 NBL BD8 20 BD8 CBS CBS C 0 1 N N N 6.114 18.185 24.840 0.796 0.146 0.407 CBS BD8 21 BD8 OAE OAE O 0 1 N N N 7.238 17.681 24.787 0.906 0.846 1.391 OAE BD8 22 BD8 N N N 0 1 N N N 5.674 19.160 24.061 -0.422 -0.088 -0.121 N BD8 23 BD8 CA CA C 0 1 N N S 6.578 19.719 23.046 -1.613 0.503 0.494 CA BD8 24 BD8 CB CB C 0 1 N N N 6.468 18.698 21.862 -1.814 1.921 -0.043 CB BD8 25 BD8 CG CG C 0 1 Y N N 7.222 19.235 20.612 -0.665 2.792 0.395 CG BD8 26 BD8 CD1 CD1 C 0 1 Y N N 6.590 20.166 19.774 0.462 2.900 -0.398 CD1 BD8 27 BD8 CE1 CE1 C 0 1 Y N N 7.323 20.643 18.658 1.515 3.700 0.003 CE1 BD8 28 BD8 CZ CZ C 0 1 Y N N 8.648 20.223 18.458 1.442 4.391 1.198 CZ BD8 29 BD8 CE2 CE2 C 0 1 Y N N 9.258 19.301 19.309 0.315 4.284 1.991 CE2 BD8 30 BD8 CD2 CD2 C 0 1 Y N N 8.565 18.803 20.419 -0.741 3.488 1.587 CD2 BD8 31 BD8 C C C 0 1 N N N 6.103 21.064 22.517 -2.819 -0.337 0.162 C BD8 32 BD8 O O O 0 1 N N N 4.911 21.315 22.345 -2.696 -1.331 -0.522 O BD8 33 BD8 NBO NBO N 0 1 N N N 7.079 21.911 22.237 -4.035 0.017 0.624 NBO BD8 34 BD8 CCB CCB C 0 1 N N S 6.816 23.231 21.624 -5.207 -0.799 0.300 CCB BD8 35 BD8 CBI CBI C 0 1 N N N 5.980 24.190 22.472 -5.322 -1.948 1.304 CBI BD8 36 BD8 CBW CBW C 0 1 Y N N 6.649 24.420 23.789 -4.140 -2.870 1.150 CBW BD8 37 BD8 CAS CAS C 0 1 Y N N 6.390 23.509 24.849 -2.990 -2.648 1.886 CAS BD8 38 BD8 CAQ CAQ C 0 1 Y N N 6.970 23.750 26.090 -1.905 -3.491 1.746 CAQ BD8 39 BD8 CBU CBU C 0 1 Y N N 7.799 24.866 26.247 -1.969 -4.562 0.866 CBU BD8 40 BD8 OAG OAG O 0 1 N N N 8.429 25.030 27.450 -0.903 -5.393 0.727 OAG BD8 41 BD8 CAR CAR C 0 1 Y N N 8.030 25.783 25.183 -3.124 -4.783 0.129 CAR BD8 42 BD8 CAT CAT C 0 1 Y N N 7.449 25.574 23.927 -4.208 -3.940 0.277 CAT BD8 43 BD8 CBT CBT C 0 1 N N N 8.168 23.826 21.122 -6.448 0.054 0.369 CBT BD8 44 BD8 OAF OAF O 0 1 N N N 9.202 23.456 21.714 -6.361 1.228 0.660 OAF BD8 45 BD8 NCC NCC N 0 1 N N N 8.152 24.657 20.055 -7.654 -0.488 0.108 NCC BD8 46 BD8 CAB CAB C 0 1 N N N 9.451 25.170 19.610 -7.759 -1.906 -0.243 CAB BD8 47 BD8 CBG CBG C 0 1 N N N 6.944 25.083 19.324 -8.859 0.341 0.175 CBG BD8 48 BD8 CBF CBF C 0 1 N N N 6.889 26.624 19.289 -9.127 0.964 -1.196 CBF BD8 49 BD8 CBX CBX C 0 1 Y N N 5.496 26.992 18.832 -10.368 1.817 -1.127 CBX BD8 50 BD8 CAP CAP C 0 1 Y N N 5.293 27.716 17.674 -10.308 3.142 -1.516 CAP BD8 51 BD8 CAL CAL C 0 1 Y N N 3.991 28.016 17.282 -11.455 3.918 -1.448 CAL BD8 52 BD8 CAI CAI C 0 1 Y N N 2.926 27.585 18.068 -12.624 3.330 -0.990 CAI BD8 53 BD8 CAM CAM C 0 1 Y N N 3.186 26.878 19.225 -12.607 1.999 -0.619 CAM BD8 54 BD8 NBK NBK N 0 1 Y N N 4.443 26.601 19.566 -11.499 1.289 -0.702 NBK BD8 55 BD8 HAA HAA H 0 1 N N N -0.334 27.809 32.527 17.624 2.086 -0.157 HAA BD8 56 BD8 HAAA HAAA H 0 0 N N N 0.564 28.710 31.259 16.870 0.770 -1.090 HAAA BD8 57 BD8 HAAB HAAB H 0 0 N N N -1.232 28.710 31.259 16.596 2.465 -1.560 HAAB BD8 58 BD8 HAW HAW H 0 1 N N N -1.355 26.701 30.209 15.656 1.163 1.036 HAW BD8 59 BD8 HAWA HAWA H 0 0 N N N 0.377 27.034 29.761 15.382 2.858 0.566 HAWA BD8 60 BD8 HAX HAX H 0 1 N N N 1.163 25.740 31.643 14.127 2.100 -1.434 HAX BD8 61 BD8 HAXA HAXA H 0 0 N N N -0.535 25.494 32.223 14.402 0.405 -0.964 HAXA BD8 62 BD8 HAY HAY H 0 1 N N N -0.992 24.349 29.958 13.188 0.798 1.162 HAY BD8 63 BD8 HAYA HAYA H 0 0 N N N 0.790 24.350 29.707 12.913 2.493 0.692 HAYA BD8 64 BD8 HAZ HAZ H 0 1 N N N 0.243 23.409 32.372 11.659 1.735 -1.308 HAZ BD8 65 BD8 HAZA HAZA H 0 0 N N N -0.803 22.502 31.197 11.933 0.040 -0.838 HAZA BD8 66 BD8 HBA HBA H 0 1 N N N 2.215 22.867 30.912 10.719 0.433 1.288 HBA BD8 67 BD8 HBAA HBAA H 0 0 N N N 1.403 21.407 31.621 10.445 2.128 0.818 HBAA BD8 68 BD8 HBB HBB H 0 1 N N N 1.204 20.560 29.550 9.190 1.370 -1.182 HBB BD8 69 BD8 HBBA HBBA H 0 0 N N N 0.131 21.922 29.120 9.465 -0.325 -0.712 HBBA BD8 70 BD8 HBC HBC H 0 1 N N N 1.782 22.394 27.608 8.251 0.068 1.414 HBC BD8 71 BD8 HBCA HBCA H 0 0 N N N 2.573 23.159 29.040 7.976 1.763 0.944 HBCA BD8 72 BD8 HBD HBD H 0 1 N N N 4.324 21.773 28.566 6.722 1.005 -1.056 HBD BD8 73 BD8 HBDA HBDA H 0 0 N N N 3.349 20.503 29.309 6.996 -0.690 -0.586 HBDA BD8 74 BD8 HBE HBE H 0 1 N N N 2.363 19.891 27.172 5.782 -0.297 1.540 HBE BD8 75 BD8 HBEA HBEA H 0 0 N N N 3.046 21.358 26.383 5.508 1.398 1.070 HBEA BD8 76 BD8 HNBM HNBM H 0 0 N N N 3.157 18.495 26.138 3.132 0.187 1.463 HNBM BD8 77 BD8 HCA HCA H 0 1 N N N 5.467 17.217 26.722 2.109 -0.113 -1.255 HCA BD8 78 BD8 HBJ HBJ H 0 1 N N N 4.671 16.714 23.848 1.901 -2.341 0.819 HBJ BD8 79 BD8 HBJA HBJA H 0 0 N N N 4.703 15.558 25.300 0.969 -2.281 -0.696 HBJA BD8 80 BD8 HAV HAV H 0 1 N N N 2.309 16.972 22.898 3.902 -3.950 0.519 HAV BD8 81 BD8 HNBP HNBP H 0 0 N N N -0.038 16.713 23.851 5.560 -4.404 -1.418 HNBP BD8 82 BD8 HAU HAU H 0 1 N N N 0.004 16.060 26.316 4.993 -2.995 -3.475 HAU BD8 83 BD8 HN HN H 0 1 N N N 4.743 19.510 24.161 -0.510 -0.648 -0.908 HN BD8 84 BD8 HA HA H 0 1 N N N 7.585 19.868 23.463 -1.483 0.539 1.576 HA BD8 85 BD8 HB HB H 0 1 N N N 6.913 17.740 22.169 -1.855 1.894 -1.132 HB BD8 86 BD8 HBF HBF H 0 1 N N N 5.407 18.559 21.607 -2.748 2.328 0.346 HBF BD8 87 BD8 HD1 HD1 H 0 1 N N N 5.584 20.506 19.971 0.519 2.360 -1.332 HD1 BD8 88 BD8 HE1 HE1 H 0 1 N N N 6.863 21.329 17.962 2.396 3.783 -0.616 HE1 BD8 89 BD8 HZ HZ H 0 1 N N N 9.208 20.623 17.626 2.266 5.015 1.512 HZ BD8 90 BD8 HE2 HE2 H 0 1 N N N 10.267 18.971 19.111 0.258 4.824 2.924 HE2 BD8 91 BD8 HD2 HD2 H 0 1 N N N 9.034 18.114 21.106 -1.623 3.407 2.204 HD2 BD8 92 BD8 HNBO HNBO H 0 0 N N N 8.022 21.652 22.446 -4.133 0.812 1.171 HNBO BD8 93 BD8 HCB HCB H 0 1 N N N 6.152 23.076 20.761 -5.101 -1.205 -0.706 HCB BD8 94 BD8 HBI HBI H 0 1 N N N 5.878 25.149 21.943 -5.339 -1.545 2.317 HBI BD8 95 BD8 HBIA HBIA H 0 0 N N N 4.986 23.751 22.642 -6.242 -2.503 1.118 HBIA BD8 96 BD8 HAS HAS H 0 1 N N N 5.756 22.648 24.694 -2.941 -1.814 2.570 HAS BD8 97 BD8 HAQ HAQ H 0 1 N N N 6.783 23.085 26.920 -1.008 -3.316 2.320 HAQ BD8 98 BD8 HOAG HOAG H 0 0 N N N 9.368 25.068 27.313 -0.910 -6.146 1.333 HOAG BD8 99 BD8 HAR HAR H 0 1 N N N 8.658 26.646 25.346 -3.176 -5.616 -0.557 HAR BD8 100 BD8 HAT HAT H 0 1 N N N 7.605 26.260 23.107 -5.109 -4.114 -0.294 HAT BD8 101 BD8 HAB HAB H 0 1 N N N 9.440 25.299 18.518 -7.893 -2.497 0.663 HAB BD8 102 BD8 HABA HABA H 0 0 N N N 9.646 26.140 20.091 -8.613 -2.055 -0.904 HABA BD8 103 BD8 HABB HABB H 0 0 N N N 10.241 24.457 19.887 -6.848 -2.223 -0.751 HABB BD8 104 BD8 HBG HBG H 0 1 N N N 6.979 24.692 18.296 -9.709 -0.276 0.466 HBG BD8 105 BD8 HBGA HBGA H 0 0 N N N 6.049 24.693 19.831 -8.716 1.132 0.912 HBGA BD8 106 BD8 HBFA HBFA H 0 0 N N N 7.089 27.039 20.288 -8.277 1.582 -1.487 HBFA BD8 107 BD8 HBFB HBFB H 0 0 N N N 7.651 27.033 18.609 -9.271 0.174 -1.933 HBFB BD8 108 BD8 HAP HAP H 0 1 N N N 6.133 28.045 17.080 -9.379 3.568 -1.867 HAP BD8 109 BD8 HAL HAL H 0 1 N N N 3.809 28.577 16.377 -11.438 4.957 -1.745 HAL BD8 110 BD8 HAI HAI H 0 1 N N N 1.909 27.801 17.776 -13.536 3.905 -0.924 HAI BD8 111 BD8 HAM HAM H 0 1 N N N 2.371 26.550 19.853 -13.513 1.533 -0.261 HAM BD8 112 # 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 BD8 CAA CAW SING N N 1 BD8 CAW CAX SING N N 2 BD8 CAX CAY SING N N 3 BD8 CAY CAZ SING N N 4 BD8 CAZ CBA SING N N 5 BD8 CBA CBB SING N N 6 BD8 CBB CBC SING N N 7 BD8 CBC CBD SING N N 8 BD8 CBD CBE SING N N 9 BD8 CBE CBQ SING N N 10 BD8 CBQ OAC DOUB N N 11 BD8 CBQ NBM SING N N 12 BD8 NBM CCA SING N N 13 BD8 CCA CBJ SING N N 14 BD8 CCA CBS SING N N 15 BD8 CBJ CBY SING N N 16 BD8 CBY CAV DOUB Y N 17 BD8 CBY NBL SING Y N 18 BD8 CAV NBP SING Y N 19 BD8 NBP CAU SING Y N 20 BD8 CAU NBL DOUB Y N 21 BD8 CBS OAE DOUB N N 22 BD8 CBS N SING N N 23 BD8 N CA SING N N 24 BD8 CA CB SING N N 25 BD8 CA C SING N N 26 BD8 CB CG SING N N 27 BD8 CG CD1 DOUB Y N 28 BD8 CG CD2 SING Y N 29 BD8 CD1 CE1 SING Y N 30 BD8 CE1 CZ DOUB Y N 31 BD8 CZ CE2 SING Y N 32 BD8 CE2 CD2 DOUB Y N 33 BD8 C O DOUB N N 34 BD8 C NBO SING N N 35 BD8 NBO CCB SING N N 36 BD8 CCB CBI SING N N 37 BD8 CCB CBT SING N N 38 BD8 CBI CBW SING N N 39 BD8 CBW CAS DOUB Y N 40 BD8 CBW CAT SING Y N 41 BD8 CAS CAQ SING Y N 42 BD8 CAQ CBU DOUB Y N 43 BD8 CBU OAG SING N N 44 BD8 CBU CAR SING Y N 45 BD8 CAR CAT DOUB Y N 46 BD8 CBT OAF DOUB N N 47 BD8 CBT NCC SING N N 48 BD8 NCC CAB SING N N 49 BD8 NCC CBG SING N N 50 BD8 CBG CBF SING N N 51 BD8 CBF CBX SING N N 52 BD8 CBX CAP DOUB Y N 53 BD8 CBX NBK SING Y N 54 BD8 CAP CAL SING Y N 55 BD8 CAL CAI DOUB Y N 56 BD8 CAI CAM SING Y N 57 BD8 CAM NBK DOUB Y N 58 BD8 CAA HAA SING N N 59 BD8 CAA HAAA SING N N 60 BD8 CAA HAAB SING N N 61 BD8 CAW HAW SING N N 62 BD8 CAW HAWA SING N N 63 BD8 CAX HAX SING N N 64 BD8 CAX HAXA SING N N 65 BD8 CAY HAY SING N N 66 BD8 CAY HAYA SING N N 67 BD8 CAZ HAZ SING N N 68 BD8 CAZ HAZA SING N N 69 BD8 CBA HBA SING N N 70 BD8 CBA HBAA SING N N 71 BD8 CBB HBB SING N N 72 BD8 CBB HBBA SING N N 73 BD8 CBC HBC SING N N 74 BD8 CBC HBCA SING N N 75 BD8 CBD HBD SING N N 76 BD8 CBD HBDA SING N N 77 BD8 CBE HBE SING N N 78 BD8 CBE HBEA SING N N 79 BD8 NBM HNBM SING N N 80 BD8 CCA HCA SING N N 81 BD8 CBJ HBJ SING N N 82 BD8 CBJ HBJA SING N N 83 BD8 CAV HAV SING N N 84 BD8 NBP HNBP SING N N 85 BD8 CAU HAU SING N N 86 BD8 N HN SING N N 87 BD8 CA HA SING N N 88 BD8 CB HB SING N N 89 BD8 CB HBF SING N N 90 BD8 CD1 HD1 SING N N 91 BD8 CE1 HE1 SING N N 92 BD8 CZ HZ SING N N 93 BD8 CE2 HE2 SING N N 94 BD8 CD2 HD2 SING N N 95 BD8 NBO HNBO SING N N 96 BD8 CCB HCB SING N N 97 BD8 CBI HBI SING N N 98 BD8 CBI HBIA SING N N 99 BD8 CAS HAS SING N N 100 BD8 CAQ HAQ SING N N 101 BD8 OAG HOAG SING N N 102 BD8 CAR HAR SING N N 103 BD8 CAT HAT SING N N 104 BD8 CAB HAB SING N N 105 BD8 CAB HABA SING N N 106 BD8 CAB HABB SING N N 107 BD8 CBG HBG SING N N 108 BD8 CBG HBGA SING N N 109 BD8 CBF HBFA SING N N 110 BD8 CBF HBFB SING N N 111 BD8 CAP HAP SING N N 112 BD8 CAL HAL SING N N 113 BD8 CAI HAI SING N N 114 BD8 CAM HAM SING N N 115 # 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 BD8 SMILES ACDLabs 10.04 "O=C(N(CCc1ncccc1)C)C(NC(=O)C(NC(=O)C(NC(=O)CCCCCCCCCC)Cc2ncnc2)Cc3ccccc3)Cc4ccc(O)cc4" BD8 SMILES_CANONICAL CACTVS 3.341 "CCCCCCCCCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N(C)CCc4ccccn4" BD8 SMILES CACTVS 3.341 "CCCCCCCCCCC(=O)N[CH](Cc1c[nH]cn1)C(=O)N[CH](Cc2ccccc2)C(=O)N[CH](Cc3ccc(O)cc3)C(=O)N(C)CCc4ccccn4" BD8 SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 "CCCCCCCCCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc3ccc(cc3)O)C(=O)N(C)CCc4ccccn4" BD8 SMILES "OpenEye OEToolkits" 1.5.0 "CCCCCCCCCCC(=O)NC(Cc1c[nH]cn1)C(=O)NC(Cc2ccccc2)C(=O)NC(Cc3ccc(cc3)O)C(=O)N(C)CCc4ccccn4" BD8 InChI InChI 1.03 ;InChI=1S/C43H57N7O5/c1-3-4-5-6-7-8-9-13-19-40(52)47-38(29-35-30-44-31-46-35)42(54)48-37(27-32-16-11-10-12-17-32)41(53)49-39(28-33-20-22-36(51)23-21-33)43(55)50(2)26-24-34-18-14-15-25-45-34/h10-12,14-18,20-23,25,30-31,37-39,51H,3-9,13,19,24,26-29H2,1-2H3,(H,44,46)(H,47,52)(H,48,54)(H,49,53)/t37-,38-,39-/m0/s1 ; BD8 InChIKey InChI 1.03 KGRSUMUKTYCXCP-IGMOWHQGSA-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 BD8 "SYSTEMATIC NAME" ACDLabs 10.04 "N-undecanoyl-L-histidyl-L-phenylalanyl-N-methyl-N-(2-pyridin-2-ylethyl)-L-tyrosinamide" BD8 "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "N-[(2S)-1-[[(2S)-1-[[(2S)-3-(4-hydroxyphenyl)-1-(methyl-(2-pyridin-2-ylethyl)amino)-1-oxo-propan-2-yl]amino]-1-oxo-3-phenyl-propan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxo-propan-2-yl]undecanamide" # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site BD8 "Create component" 2009-06-22 RCSB BD8 "Modify aromatic_flag" 2011-06-04 RCSB BD8 "Modify descriptor" 2011-06-04 RCSB #