data_BHV # _chem_comp.id BHV _chem_comp.name "tert-butyl 4-(2-{3-[3-{[(3-methylbut-2-enoyl)amino]methyl}-4-(trifluoromethyl)phenyl]-1-[3-(morpholin-4-yl)propyl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}-2-oxoethyl)piperidine-1-carboxylate" _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "C38 H53 F3 N6 O5" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms ? _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2017-08-08 _chem_comp.pdbx_modified_date 2017-12-15 _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 730.860 _chem_comp.one_letter_code ? _chem_comp.three_letter_code BHV _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 5QCB _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 BHV C21 C1 C 0 1 N N N 7.905 -8.429 -2.323 6.510 -0.422 0.895 C21 BHV 1 BHV C31 C2 C 0 1 N N N 9.202 -12.003 0.704 10.519 -1.934 -1.405 C31 BHV 2 BHV C5 C3 C 0 1 Y N N 4.603 -7.600 -4.041 3.178 -2.100 1.492 C5 BHV 3 BHV C2 C4 C 0 1 Y N N 6.475 -9.612 -4.020 4.173 0.152 0.217 C2 BHV 4 BHV C6 C5 C 0 1 Y N N 4.427 -8.704 -4.840 2.311 -1.248 0.837 C6 BHV 5 BHV C1 C6 C 0 1 Y N N 5.353 -9.716 -4.837 2.805 -0.115 0.195 C1 BHV 6 BHV C4 C7 C 0 1 Y N N 5.712 -7.486 -3.221 4.534 -1.830 1.511 C4 BHV 7 BHV C13 C8 C 0 1 N N N 5.852 -6.263 -2.384 5.474 -2.762 2.232 C13 BHV 8 BHV C25 C9 C 0 1 N N N 8.667 -10.522 -1.267 8.518 -1.152 -0.276 C25 BHV 9 BHV C29 C10 C 0 1 N N N 8.364 -11.487 -0.200 9.194 -1.975 -1.291 C29 BHV 10 BHV C3 C11 C 0 1 Y N N 6.675 -8.503 -3.211 5.031 -0.709 0.870 C3 BHV 11 BHV C33 C12 C 0 1 N N N 8.701 -12.996 1.716 11.197 -2.626 -2.559 C33 BHV 12 BHV C35 C13 C 0 1 N N N 10.682 -11.670 0.819 11.341 -1.196 -0.380 C35 BHV 13 BHV C37 C14 C 0 1 Y N N 5.157 -10.890 -5.706 1.878 0.806 -0.510 C37 BHV 14 BHV C39 C15 C 0 1 Y N N 6.079 -11.547 -6.565 0.722 0.437 -1.211 C39 BHV 15 BHV C40 C16 C 0 1 Y N N 5.370 -12.551 -7.129 0.152 1.563 -1.705 C40 BHV 16 BHV C48 C17 C 0 1 N N N 5.906 -13.537 -8.112 -1.119 1.590 -2.517 C48 BHV 17 BHV C49 C18 C 0 1 N N N 7.422 -13.382 -8.237 -1.392 0.181 -3.057 C49 BHV 18 BHV C51 C19 C 0 1 N N N 7.534 -11.307 -6.874 0.163 -0.951 -1.416 C51 BHV 19 BHV C57 C20 C 0 1 N N N 2.960 -13.345 -6.915 0.667 4.013 -1.668 C57 BHV 20 BHV C59 C21 C 0 1 N N N 2.450 -14.056 -5.630 -0.195 4.647 -0.575 C59 BHV 21 BHV C61 C22 C 0 1 N N N 3.251 -15.303 -5.205 -0.456 6.115 -0.918 C61 BHV 22 BHV C65 C23 C 0 1 N N N 2.782 -15.165 -2.785 -0.552 6.794 1.405 C65 BHV 23 BHV C66 C24 C 0 1 N N N 2.609 -16.013 -1.539 -1.468 7.378 2.483 C66 BHV 24 BHV C68 C25 C 0 1 N N N 0.775 -16.869 -2.785 -2.657 8.628 0.822 C68 BHV 25 BHV C69 C26 C 0 1 N N N 1.383 -16.534 -4.141 -1.753 8.057 -0.273 C69 BHV 26 BHV C76 C27 C 0 1 N N N 8.551 -11.354 -9.077 -2.223 -1.534 -1.514 C76 BHV 27 BHV C80 C28 C 0 1 N N N 8.848 -12.105 -10.357 -3.598 -1.362 -2.106 C80 BHV 28 BHV C82 C29 C 0 1 N N N 10.251 -12.708 -10.510 -4.575 -2.310 -1.408 C82 BHV 29 BHV C84 C30 C 0 1 N N N 10.914 -12.272 -11.817 -4.712 -1.910 0.062 C84 BHV 30 BHV C85 C31 C 0 1 N N N 12.372 -12.715 -11.885 -5.665 -2.882 0.766 C85 BHV 31 BHV C87 C32 C 0 1 N N N 12.487 -13.150 -9.480 -6.909 -3.202 -1.412 C87 BHV 32 BHV C88 C33 C 0 1 N N N 11.163 -12.391 -9.356 -5.942 -2.226 -2.091 C88 BHV 33 BHV C93 C34 C 0 1 N N N 12.988 -18.108 -10.709 -10.413 -1.074 1.347 C93 BHV 34 BHV C94 C35 C 0 1 N N N 14.993 -16.603 -10.664 -10.627 -3.517 1.827 C94 BHV 35 BHV C95 C36 C 0 1 N N N 12.697 -15.033 -11.147 -8.103 -2.689 0.662 C95 BHV 36 BHV C96 C37 C 0 1 N N N 13.906 -17.315 -8.519 -11.681 -2.549 -0.221 C96 BHV 37 BHV C98 C38 C 0 1 N N N 13.689 -16.976 -9.984 -10.479 -2.469 0.722 C98 BHV 38 BHV F15 F1 F 0 1 N N N 5.889 -6.526 -1.072 4.746 -3.815 2.796 F15 BHV 39 BHV F17 F2 F 0 1 N N N 4.840 -5.417 -2.570 6.409 -3.274 1.325 F17 BHV 40 BHV F19 F3 F 0 1 N N N 6.947 -5.579 -2.707 6.141 -2.061 3.243 F19 BHV 41 BHV N23 N1 N 0 1 N N N 7.807 -9.492 -1.327 7.183 -1.242 -0.116 N23 BHV 42 BHV N41 N2 N 0 1 Y N N 4.110 -12.488 -6.637 0.917 2.608 -1.340 N41 BHV 43 BHV N42 N3 N 0 1 Y N N 3.957 -11.462 -5.756 1.993 2.117 -0.585 N42 BHV 44 BHV N50 N4 N 0 1 N N N 7.869 -11.994 -8.116 -1.193 -0.797 -1.976 N50 BHV 45 BHV N63 N5 N 0 1 N N N 2.744 -16.018 -3.973 -1.283 6.724 0.132 N63 BHV 46 BHV N86 N6 N 0 1 N N N 12.661 -13.709 -10.849 -6.935 -2.916 0.029 N86 BHV 47 BHV O27 O1 O 0 1 N N N 9.617 -10.639 -2.062 9.164 -0.391 0.419 O27 BHV 48 BHV O67 O2 O 0 1 N N N 1.788 -17.165 -1.789 -1.939 8.660 2.058 O67 BHV 49 BHV O78 O3 O 0 1 N N N 8.899 -10.193 -8.942 -2.042 -2.336 -0.623 O78 BHV 50 BHV O97 O4 O 0 1 N N N 12.629 -15.469 -12.271 -8.112 -2.454 1.854 O97 BHV 51 BHV O99 O5 O 0 1 N N N 12.809 -15.768 -10.031 -9.260 -2.723 -0.025 O99 BHV 52 BHV H1 H1 H 0 1 N N N 8.812 -8.568 -2.929 6.679 0.632 0.679 H1 BHV 53 BHV H2 H2 H 0 1 N N N 7.945 -7.451 -1.822 6.910 -0.660 1.881 H2 BHV 54 BHV H3 H3 H 0 1 N N N 3.866 -6.811 -4.053 2.795 -2.976 1.993 H3 BHV 55 BHV H4 H4 H 0 1 N N N 7.203 -10.409 -4.016 4.562 1.027 -0.282 H4 BHV 56 BHV H5 H5 H 0 1 N N N 3.555 -8.775 -5.474 1.252 -1.459 0.822 H5 BHV 57 BHV H6 H6 H 0 1 N N N 7.338 -11.820 -0.139 8.615 -2.611 -1.943 H6 BHV 58 BHV H7 H7 H 0 1 N N N 9.530 -13.304 2.369 11.435 -3.652 -2.279 H7 BHV 59 BHV H8 H8 H 0 1 N N N 7.909 -12.533 2.323 10.531 -2.631 -3.422 H8 BHV 60 BHV H9 H9 H 0 1 N N N 8.297 -13.877 1.196 12.115 -2.096 -2.812 H9 BHV 61 BHV H10 H10 H 0 1 N N N 11.123 -12.240 1.650 11.378 -0.138 -0.637 H10 BHV 62 BHV H11 H11 H 0 1 N N N 11.191 -11.936 -0.119 10.888 -1.316 0.604 H11 BHV 63 BHV H12 H12 H 0 1 N N N 10.802 -10.593 1.009 12.353 -1.602 -0.366 H12 BHV 64 BHV H13 H13 H 0 1 N N N 5.440 -13.363 -9.093 -1.949 1.907 -1.886 H13 BHV 65 BHV H14 H14 H 0 1 N N N 5.671 -14.556 -7.770 -1.006 2.286 -3.348 H14 BHV 66 BHV H15 H15 H 0 1 N N N 7.733 -13.766 -9.220 -2.420 0.124 -3.415 H15 BHV 67 BHV H16 H16 H 0 1 N N N 7.901 -13.974 -7.444 -0.707 -0.038 -3.876 H16 BHV 68 BHV H17 H17 H 0 1 N N N 8.156 -11.699 -6.055 0.792 -1.505 -2.113 H17 BHV 69 BHV H18 H18 H 0 1 N N N 7.715 -10.228 -6.988 0.113 -1.476 -0.463 H18 BHV 70 BHV H19 H19 H 0 1 N N N 2.148 -12.729 -7.328 0.146 4.076 -2.624 H19 BHV 71 BHV H20 H20 H 0 1 N N N 3.253 -14.107 -7.652 1.616 4.545 -1.737 H20 BHV 72 BHV H21 H21 H 0 1 N N N 2.486 -13.331 -4.803 -1.144 4.116 -0.506 H21 BHV 73 BHV H22 H22 H 0 1 N N N 3.234 -16.017 -6.041 0.493 6.647 -0.987 H22 BHV 74 BHV H23 H23 H 0 1 N N N 3.749 -14.643 -2.741 0.324 7.433 1.287 H23 BHV 75 BHV H24 H24 H 0 1 N N N 1.969 -14.426 -2.840 -0.235 5.793 1.699 H24 BHV 76 BHV H25 H25 H 0 1 N N N 3.599 -16.349 -1.196 -2.317 6.712 2.639 H25 BHV 77 BHV H26 H26 H 0 1 N N N 2.137 -15.402 -0.755 -0.913 7.485 3.415 H26 BHV 78 BHV H27 H27 H 0 1 N N N 0.180 -16.010 -2.441 -2.962 9.639 0.552 H27 BHV 79 BHV H28 H28 H 0 1 N N N 0.121 -17.746 -2.897 -3.541 7.999 0.930 H28 BHV 80 BHV H29 H29 H 0 1 N N N 0.765 -15.772 -4.638 -2.314 7.978 -1.204 H29 BHV 81 BHV H30 H30 H 0 1 N N N 1.413 -17.443 -4.760 -0.896 8.715 -0.418 H30 BHV 82 BHV H31 H31 H 0 1 N N N 8.696 -11.406 -11.193 -3.928 -0.333 -1.965 H31 BHV 83 BHV H32 H32 H 0 1 N N N 8.124 -12.930 -10.432 -3.567 -1.592 -3.171 H32 BHV 84 BHV H33 H33 H 0 1 N N N 10.134 -13.801 -10.551 -4.199 -3.331 -1.473 H33 BHV 85 BHV H34 H34 H 0 1 N N N 10.871 -11.175 -11.890 -3.734 -1.947 0.542 H34 BHV 86 BHV H35 H35 H 0 1 N N N 10.366 -12.718 -12.661 -5.111 -0.897 0.128 H35 BHV 87 BHV H36 H36 H 0 1 N N N 12.570 -13.156 -12.873 -5.224 -3.879 0.780 H36 BHV 88 BHV H37 H37 H 0 1 N N N 13.022 -11.840 -11.737 -5.843 -2.544 1.787 H37 BHV 89 BHV H38 H38 H 0 1 N N N 12.498 -13.974 -8.752 -7.908 -3.076 -1.828 H38 BHV 90 BHV H39 H39 H 0 1 N N N 13.317 -12.461 -9.266 -6.571 -4.225 -1.577 H39 BHV 91 BHV H40 H40 H 0 1 N N N 11.367 -11.310 -9.345 -6.330 -1.211 -2.005 H40 BHV 92 BHV H41 H41 H 0 1 N N N 10.669 -12.680 -8.417 -5.840 -2.489 -3.144 H41 BHV 93 BHV H42 H42 H 0 1 N N N 12.049 -18.351 -10.190 -9.556 -1.017 2.018 H42 BHV 94 BHV H43 H43 H 0 1 N N N 12.767 -17.800 -11.742 -10.307 -0.328 0.559 H43 BHV 95 BHV H44 H44 H 0 1 N N N 13.640 -18.994 -10.722 -11.328 -0.884 1.907 H44 BHV 96 BHV H45 H45 H 0 1 N N N 15.473 -15.781 -10.112 -11.542 -3.326 2.388 H45 BHV 97 BHV H46 H46 H 0 1 N N N 15.662 -17.476 -10.677 -10.674 -4.510 1.382 H46 BHV 98 BHV H47 H47 H 0 1 N N N 14.789 -16.282 -11.696 -9.770 -3.459 2.499 H47 BHV 99 BHV H48 H48 H 0 1 N N N 14.415 -16.477 -8.020 -11.575 -1.803 -1.009 H48 BHV 100 BHV H49 H49 H 0 1 N N N 12.934 -17.493 -8.036 -11.728 -3.543 -0.666 H49 BHV 101 BHV H50 H50 H 0 1 N N N 14.526 -18.220 -8.440 -12.596 -2.359 0.340 H50 BHV 102 BHV H51 H51 H 0 1 N N N 7.065 -9.451 -0.658 6.668 -1.849 -0.670 H51 BHV 103 BHV H52 H52 H 0 1 N N N 1.408 -14.364 -5.803 0.326 4.585 0.380 H52 BHV 104 BHV H53 H53 H 0 1 N N N 4.287 -14.989 -5.012 -0.977 6.178 -1.873 H53 BHV 105 # 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 BHV O97 C95 DOUB N N 1 BHV C85 C84 SING N N 2 BHV C85 N86 SING N N 3 BHV C84 C82 SING N N 4 BHV C95 N86 SING N N 5 BHV C95 O99 SING N N 6 BHV N86 C87 SING N N 7 BHV C93 C98 SING N N 8 BHV C94 C98 SING N N 9 BHV C82 C80 SING N N 10 BHV C82 C88 SING N N 11 BHV C80 C76 SING N N 12 BHV O99 C98 SING N N 13 BHV C98 C96 SING N N 14 BHV C87 C88 SING N N 15 BHV C76 O78 DOUB N N 16 BHV C76 N50 SING N N 17 BHV C49 N50 SING N N 18 BHV C49 C48 SING N N 19 BHV N50 C51 SING N N 20 BHV C48 C40 SING N N 21 BHV C40 N41 SING Y N 22 BHV C40 C39 DOUB Y N 23 BHV C57 N41 SING N N 24 BHV C57 C59 SING N N 25 BHV C51 C39 SING N N 26 BHV N41 N42 SING Y N 27 BHV C39 C37 SING Y N 28 BHV N42 C37 DOUB Y N 29 BHV C37 C1 SING N N 30 BHV C59 C61 SING N N 31 BHV C61 N63 SING N N 32 BHV C6 C1 DOUB Y N 33 BHV C6 C5 SING Y N 34 BHV C1 C2 SING Y N 35 BHV C69 N63 SING N N 36 BHV C69 C68 SING N N 37 BHV C5 C4 DOUB Y N 38 BHV C2 C3 DOUB Y N 39 BHV N63 C65 SING N N 40 BHV C4 C3 SING Y N 41 BHV C4 C13 SING N N 42 BHV C3 C21 SING N N 43 BHV C65 C66 SING N N 44 BHV C68 O67 SING N N 45 BHV F19 C13 SING N N 46 BHV F17 C13 SING N N 47 BHV C13 F15 SING N N 48 BHV C21 N23 SING N N 49 BHV O27 C25 DOUB N N 50 BHV O67 C66 SING N N 51 BHV N23 C25 SING N N 52 BHV C25 C29 SING N N 53 BHV C29 C31 DOUB N N 54 BHV C31 C35 SING N N 55 BHV C31 C33 SING N N 56 BHV C21 H1 SING N N 57 BHV C21 H2 SING N N 58 BHV C5 H3 SING N N 59 BHV C2 H4 SING N N 60 BHV C6 H5 SING N N 61 BHV C29 H6 SING N N 62 BHV C33 H7 SING N N 63 BHV C33 H8 SING N N 64 BHV C33 H9 SING N N 65 BHV C35 H10 SING N N 66 BHV C35 H11 SING N N 67 BHV C35 H12 SING N N 68 BHV C48 H13 SING N N 69 BHV C48 H14 SING N N 70 BHV C49 H15 SING N N 71 BHV C49 H16 SING N N 72 BHV C51 H17 SING N N 73 BHV C51 H18 SING N N 74 BHV C57 H19 SING N N 75 BHV C57 H20 SING N N 76 BHV C59 H21 SING N N 77 BHV C61 H22 SING N N 78 BHV C65 H23 SING N N 79 BHV C65 H24 SING N N 80 BHV C66 H25 SING N N 81 BHV C66 H26 SING N N 82 BHV C68 H27 SING N N 83 BHV C68 H28 SING N N 84 BHV C69 H29 SING N N 85 BHV C69 H30 SING N N 86 BHV C80 H31 SING N N 87 BHV C80 H32 SING N N 88 BHV C82 H33 SING N N 89 BHV C84 H34 SING N N 90 BHV C84 H35 SING N N 91 BHV C85 H36 SING N N 92 BHV C85 H37 SING N N 93 BHV C87 H38 SING N N 94 BHV C87 H39 SING N N 95 BHV C88 H40 SING N N 96 BHV C88 H41 SING N N 97 BHV C93 H42 SING N N 98 BHV C93 H43 SING N N 99 BHV C93 H44 SING N N 100 BHV C94 H45 SING N N 101 BHV C94 H46 SING N N 102 BHV C94 H47 SING N N 103 BHV C96 H48 SING N N 104 BHV C96 H49 SING N N 105 BHV C96 H50 SING N N 106 BHV N23 H51 SING N N 107 BHV C59 H52 SING N N 108 BHV C61 H53 SING N N 109 # 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 BHV SMILES ACDLabs 12.01 "C(NC(\C=C(/C)C)=O)c1cc(ccc1C(F)(F)F)c3c4c(n(CCCN2CCOCC2)n3)CCN(C4)C(=O)CC5CCN(CC5)C(OC(C)(C)C)=O" BHV InChI InChI 1.03 "InChI=1S/C38H53F3N6O5/c1-26(2)21-33(48)42-24-29-23-28(7-8-31(29)38(39,40)41)35-30-25-46(16-11-32(30)47(43-35)13-6-12-44-17-19-51-20-18-44)34(49)22-27-9-14-45(15-10-27)36(50)52-37(3,4)5/h7-8,21,23,27H,6,9-20,22,24-25H2,1-5H3,(H,42,48)" BHV InChIKey InChI 1.03 VGHVCBNZEGIXOJ-UHFFFAOYSA-N BHV SMILES_CANONICAL CACTVS 3.385 "CC(C)=CC(=O)NCc1cc(ccc1C(F)(F)F)c2nn(CCCN3CCOCC3)c4CCN(Cc24)C(=O)CC5CCN(CC5)C(=O)OC(C)(C)C" BHV SMILES CACTVS 3.385 "CC(C)=CC(=O)NCc1cc(ccc1C(F)(F)F)c2nn(CCCN3CCOCC3)c4CCN(Cc24)C(=O)CC5CCN(CC5)C(=O)OC(C)(C)C" BHV SMILES_CANONICAL "OpenEye OEToolkits" 2.0.6 "CC(=CC(=O)NCc1cc(ccc1C(F)(F)F)c2c3c(n(n2)CCCN4CCOCC4)CCN(C3)C(=O)CC5CCN(CC5)C(=O)OC(C)(C)C)C" BHV SMILES "OpenEye OEToolkits" 2.0.6 "CC(=CC(=O)NCc1cc(ccc1C(F)(F)F)c2c3c(n(n2)CCCN4CCOCC4)CCN(C3)C(=O)CC5CCN(CC5)C(=O)OC(C)(C)C)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 BHV "SYSTEMATIC NAME" ACDLabs 12.01 "tert-butyl 4-(2-{3-[3-{[(3-methylbut-2-enoyl)amino]methyl}-4-(trifluoromethyl)phenyl]-1-[3-(morpholin-4-yl)propyl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}-2-oxoethyl)piperidine-1-carboxylate" BHV "SYSTEMATIC NAME" "OpenEye OEToolkits" 2.0.6 "~{tert}-butyl 4-[2-[3-[3-[(3-methylbut-2-enoylamino)methyl]-4-(trifluoromethyl)phenyl]-1-(3-morpholin-4-ylpropyl)-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-5-yl]-2-oxidanylidene-ethyl]piperidine-1-carboxylate" # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site BHV "Create component" 2017-08-08 RCSB BHV "Initial release" 2017-12-20 RCSB #