data_4M2 # _chem_comp.id 4M2 _chem_comp.name "3'-deoxy-3'-{[(2E)-3-(4-{[(4Z)-6-O-(6-deoxy-3,4-di-O-methyl-alpha-D-mannopyranosyl)-5-O-methyl-alpha-D-threo-hex-4-enofuranosyl]oxy}phenyl)-2-methylprop-2-enoyl]amino}-N,N-dimethyladenosine" _chem_comp.type non-polymer _chem_comp.pdbx_type HETAIN _chem_comp.formula "C37 H50 N6 O14" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms A201A _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2015-04-14 _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 802.825 _chem_comp.one_letter_code ? _chem_comp.three_letter_code 4M2 _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 4Z3S _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 4M2 C4 C1 C 0 1 Y N N 85.760 -45.454 2.025 10.374 0.557 0.676 C4 4M2 1 4M2 C2 C2 C 0 1 Y N N 84.180 -44.658 3.579 11.044 1.122 2.801 C2 4M2 2 4M2 C6 C3 C 0 1 Y N N 85.638 -43.168 2.460 12.449 1.721 1.070 C6 4M2 3 4M2 C8 C4 C 0 1 Y N N 87.344 -45.582 0.565 10.417 0.369 -1.520 C8 4M2 4 4M2 C5 C5 C 0 1 Y N N 86.201 -44.204 1.802 11.543 1.143 0.163 C5 4M2 5 4M2 N1 N1 N 0 1 Y N N 84.650 -43.373 3.336 12.157 1.684 2.366 N1 4M2 6 4M2 CAC C6 C 0 1 N N N 76.404 -55.587 -10.419 -8.842 4.240 -2.725 CAC 4M2 7 4M2 OBC O1 O 0 1 N N N 75.620 -55.869 -9.268 -9.759 3.918 -1.677 OBC 4M2 8 4M2 CCB C7 C 0 1 N N R 76.529 -55.911 -8.174 -9.516 2.651 -1.062 CCB 4M2 9 4M2 CBU C8 C 0 1 N N S 77.075 -57.336 -8.037 -10.304 1.564 -1.799 CBU 4M2 10 4M2 OAL O2 O 0 1 N N N 76.040 -58.288 -7.854 -11.693 1.899 -1.800 OAL 4M2 11 4M2 CCA C9 C 0 1 N N R 75.853 -55.452 -6.886 -9.974 2.695 0.400 CCA 4M2 12 4M2 OBB O3 O 0 1 N N N 75.473 -54.066 -6.973 -9.195 3.656 1.115 OBB 4M2 13 4M2 CAB C10 C 0 1 N N N 74.120 -53.893 -7.395 -9.808 4.943 1.216 CAB 4M2 14 4M2 CBR C11 C 0 1 N N R 76.839 -55.603 -5.762 -9.784 1.312 1.028 CBR 4M2 15 4M2 CAE C12 C 0 1 N N N 76.175 -55.186 -4.455 -10.294 1.332 2.470 CAE 4M2 16 4M2 OBG O4 O 0 1 N N N 77.241 -56.980 -5.670 -10.518 0.344 0.276 OBG 4M2 17 4M2 CBY C13 C 0 1 N N S 77.970 -57.388 -6.836 -10.101 0.225 -1.086 CBY 4M2 18 4M2 OBD O5 O 0 1 N N N 79.076 -56.508 -7.021 -8.719 -0.135 -1.132 OBD 4M2 19 4M2 CAV C14 C 0 1 N N N 80.060 -57.066 -6.169 -8.451 -1.469 -0.696 CAV 4M2 20 4M2 CBK C15 C 0 1 N N N 81.404 -56.491 -6.538 -6.971 -1.739 -0.786 CBK 4M2 21 4M2 OBA O6 O 0 1 N N N 81.493 -55.162 -6.825 -6.354 -1.751 -1.998 OBA 4M2 22 4M2 CAA C16 C 0 1 N N N 82.218 -54.448 -5.820 -4.950 -2.013 -2.009 CAA 4M2 23 4M2 CBL C17 C 0 1 N N N 82.453 -57.299 -6.698 -6.273 -1.964 0.312 CBL 4M2 24 4M2 OBE O7 O 0 1 N N N 83.714 -56.848 -6.920 -4.931 -2.214 0.366 OBE 4M2 25 4M2 CBS C18 C 0 1 N N S 82.441 -58.670 -6.342 -6.827 -1.980 1.724 CBS 4M2 26 4M2 OAJ O8 O 0 1 N N N 81.673 -59.521 -7.204 -7.759 -3.052 1.884 OAJ 4M2 27 4M2 CBT C19 C 0 1 N N S 83.939 -58.956 -6.464 -5.580 -2.204 2.616 CBT 4M2 28 4M2 OAK O9 O 0 1 N N N 84.384 -60.011 -5.587 -5.616 -1.364 3.772 OAK 4M2 29 4M2 CBX C20 C 0 1 N N S 84.278 -57.644 -5.894 -4.446 -1.771 1.651 CBX 4M2 30 4M2 OBF O10 O 0 1 N N N 85.604 -57.422 -5.788 -3.220 -2.425 1.982 OBF 4M2 31 4M2 CBN C21 C 0 1 Y N N 85.760 -56.253 -5.100 -2.117 -2.060 1.281 CBN 4M2 32 4M2 CAS C22 C 0 1 Y N N 85.182 -56.030 -3.853 -0.892 -2.658 1.554 CAS 4M2 33 4M2 CAQ C23 C 0 1 Y N N 85.407 -54.805 -3.200 0.229 -2.291 0.846 CAQ 4M2 34 4M2 CAR C24 C 0 1 Y N N 86.548 -55.258 -5.664 -2.217 -1.092 0.288 CAR 4M2 35 4M2 CAP C25 C 0 1 Y N N 86.768 -54.059 -5.001 -1.101 -0.717 -0.426 CAP 4M2 36 4M2 CBM C26 C 0 1 Y N N 86.182 -53.786 -3.770 0.135 -1.313 -0.151 CBM 4M2 37 4M2 CAN C27 C 0 1 N N N 86.403 -52.583 -3.066 1.330 -0.916 -0.910 CAN 4M2 38 4M2 CBI C28 C 0 1 N N N 86.691 -51.217 -3.757 2.527 -0.836 -0.291 CBI 4M2 39 4M2 CAD C29 C 0 1 N N N 86.695 -51.005 -5.275 2.614 -0.999 1.204 CAD 4M2 40 4M2 CBJ C30 C 0 1 N N N 86.975 -49.962 -2.927 3.739 -0.591 -1.072 CBJ 4M2 41 4M2 OAH O11 O 0 1 N N N 87.198 -48.897 -3.499 3.668 -0.460 -2.280 OAH 4M2 42 4M2 NAZ N2 N 0 1 N N N 86.954 -50.070 -1.597 4.934 -0.511 -0.455 NAZ 4M2 43 4M2 CBZ C31 C 0 1 N N S 87.213 -48.881 -0.751 6.148 -0.265 -1.237 CBZ 4M2 44 4M2 CBV C32 C 0 1 N N R 85.913 -48.258 -0.221 7.235 0.392 -0.357 CBV 4M2 45 4M2 OAM O12 O 0 1 N N N 84.896 -49.250 -0.025 6.756 0.578 0.976 OAM 4M2 46 4M2 CBW C33 C 0 1 N N S 87.918 -49.241 0.524 6.783 -1.600 -1.684 CBW 4M2 47 4M2 CAU C34 C 0 1 N N N 89.412 -49.510 0.256 6.385 -1.923 -3.126 CAU 4M2 48 4M2 OAI O13 O 0 1 N N N 90.158 -48.279 0.151 6.885 -3.214 -3.481 OAI 4M2 49 4M2 OBH O14 O 0 1 N N N 87.782 -47.997 1.181 8.208 -1.380 -1.593 OBH 4M2 50 4M2 CCC C35 C 0 1 N N R 86.371 -47.743 1.154 8.399 -0.624 -0.377 CCC 4M2 51 4M2 N9 N3 N 0 1 Y N N 86.463 -46.287 1.261 9.686 0.074 -0.408 N9 4M2 52 4M2 N7 N4 N 0 1 Y N N 87.181 -44.311 0.896 11.507 0.995 -1.183 N7 4M2 53 4M2 N3 N5 N 0 1 Y N N 84.766 -45.703 2.891 10.167 0.569 1.989 N3 4M2 54 4M2 N6 N6 N 0 1 N N N 86.053 -41.899 2.274 13.618 2.312 0.624 N6 4M2 55 4M2 CAG C36 C 0 1 N N N 86.682 -41.438 1.019 13.333 3.363 -0.362 CAG 4M2 56 4M2 CAF C37 C 0 1 N N N 85.821 -40.963 3.382 14.401 2.842 1.747 CAF 4M2 57 4M2 H1 H1 H 0 1 N N N 83.381 -44.834 4.284 10.846 1.114 3.862 H1 4M2 58 4M2 H2 H2 H 0 1 N N N 88.062 -45.973 -0.141 10.134 0.119 -2.532 H2 4M2 59 4M2 H3 H3 H 0 1 N N N 75.753 -55.541 -11.305 -9.093 5.216 -3.141 H3 4M2 60 4M2 H4 H4 H 0 1 N N N 76.913 -54.621 -10.288 -7.828 4.264 -2.327 H4 4M2 61 4M2 H5 H5 H 0 1 N N N 77.153 -56.381 -10.555 -8.907 3.484 -3.509 H5 4M2 62 4M2 H6 H6 H 0 1 N N N 77.376 -55.239 -8.375 -8.451 2.422 -1.105 H6 4M2 63 4M2 H7 H7 H 0 1 N N N 77.662 -57.578 -8.936 -9.947 1.489 -2.826 H7 4M2 64 4M2 H8 H8 H 0 1 N N N 76.418 -59.156 -7.774 -12.253 1.253 -2.252 H8 4M2 65 4M2 H9 H9 H 0 1 N N N 74.972 -56.082 -6.692 -11.027 2.974 0.443 H9 4M2 66 4M2 H10 H10 H 0 1 N N N 73.885 -52.820 -7.444 -10.731 4.861 1.791 H10 4M2 67 4M2 H11 H11 H 0 1 N N N 73.986 -54.343 -8.390 -9.128 5.632 1.717 H11 4M2 68 4M2 H12 H12 H 0 1 N N N 73.446 -54.383 -6.677 -10.034 5.317 0.218 H12 4M2 69 4M2 H13 H13 H 0 1 N N N 77.711 -54.959 -5.948 -8.725 1.052 1.020 H13 4M2 70 4M2 H14 H14 H 0 1 N N N 76.892 -55.294 -3.628 -11.368 1.519 2.473 H14 4M2 71 4M2 H15 H15 H 0 1 N N N 75.853 -54.137 -4.526 -10.092 0.370 2.941 H15 4M2 72 4M2 H16 H16 H 0 1 N N N 75.300 -55.826 -4.268 -9.787 2.122 3.024 H16 4M2 73 4M2 H17 H17 H 0 1 N N N 78.331 -58.419 -6.706 -10.694 -0.544 -1.581 H17 4M2 74 4M2 H18 H18 H 0 1 N N N 79.827 -56.819 -5.123 -8.780 -1.587 0.336 H18 4M2 75 4M2 H19 H19 H 0 1 N N N 80.079 -58.159 -6.292 -8.988 -2.174 -1.331 H19 4M2 76 4M2 H20 H20 H 0 1 N N N 82.266 -53.383 -6.089 -4.584 -1.994 -3.035 H20 4M2 77 4M2 H21 H21 H 0 1 N N N 81.708 -54.558 -4.852 -4.433 -1.252 -1.425 H21 4M2 78 4M2 H22 H22 H 0 1 N N N 83.238 -54.854 -5.746 -4.760 -2.995 -1.574 H22 4M2 79 4M2 H23 H23 H 0 1 N N N 82.131 -58.800 -5.295 -7.300 -1.027 1.960 H23 4M2 80 4M2 H24 H24 H 0 1 N N N 81.722 -60.417 -6.891 -8.531 -2.992 1.305 H24 4M2 81 4M2 H25 H25 H 0 1 N N N 84.261 -59.077 -7.509 -5.481 -3.252 2.897 H25 4M2 82 4M2 H26 H26 H 0 1 N N N 85.317 -60.147 -5.703 -4.856 -1.470 4.359 H26 4M2 83 4M2 H27 H27 H 0 1 N N N 83.752 -57.494 -4.940 -4.323 -0.688 1.665 H27 4M2 84 4M2 H28 H28 H 0 1 N N N 84.568 -56.789 -3.392 -0.821 -3.413 2.324 H28 4M2 85 4M2 H29 H29 H 0 1 N N N 84.968 -54.644 -2.227 1.180 -2.757 1.059 H29 4M2 86 4M2 H30 H30 H 0 1 N N N 86.996 -55.420 -6.633 -3.171 -0.633 0.077 H30 4M2 87 4M2 H31 H31 H 0 1 N N N 87.411 -53.318 -5.453 -1.180 0.035 -1.197 H31 4M2 88 4M2 H32 H32 H 0 1 N N N 86.371 -52.611 -1.987 1.250 -0.689 -1.963 H32 4M2 89 4M2 H33 H33 H 0 1 N N N 86.926 -49.953 -5.498 2.730 -2.055 1.449 H33 4M2 90 4M2 H34 H34 H 0 1 N N N 87.457 -51.653 -5.734 3.473 -0.442 1.581 H34 4M2 91 4M2 H35 H35 H 0 1 N N N 85.705 -51.258 -5.683 1.703 -0.617 1.665 H35 4M2 92 4M2 H36 H36 H 0 1 N N N 86.763 -50.954 -1.171 4.990 -0.615 0.508 H36 4M2 93 4M2 H37 H37 H 0 1 N N N 87.789 -48.127 -1.308 5.925 0.362 -2.100 H37 4M2 94 4M2 H38 H38 H 0 1 N N N 85.580 -47.429 -0.863 7.550 1.344 -0.786 H38 4M2 95 4M2 H39 H39 H 0 1 N N N 84.107 -48.835 0.302 7.399 0.987 1.571 H39 4M2 96 4M2 H40 H40 H 0 1 N N N 87.438 -50.080 1.049 6.480 -2.407 -1.017 H40 4M2 97 4M2 H41 H41 H 0 1 N N N 89.512 -50.070 -0.685 5.299 -1.918 -3.213 H41 4M2 98 4M2 H42 H42 H 0 1 N N N 89.822 -50.108 1.083 6.807 -1.173 -3.796 H42 4M2 99 4M2 H43 H43 H 0 1 N N N 91.073 -48.476 -0.014 6.670 -3.484 -4.384 H43 4M2 100 4M2 H44 H44 H 0 1 N N N 85.816 -48.210 1.981 8.344 -1.281 0.491 H44 4M2 101 4M2 H45 H45 H 0 1 N N N 86.933 -40.371 1.105 12.706 4.129 0.095 H45 4M2 102 4M2 H46 H46 H 0 1 N N N 87.599 -42.017 0.834 14.268 3.811 -0.696 H46 4M2 103 4M2 H47 H47 H 0 1 N N N 85.982 -41.584 0.183 12.812 2.929 -1.216 H47 4M2 104 4M2 H48 H48 H 0 1 N N N 85.347 -41.496 4.220 14.658 2.029 2.427 H48 4M2 105 4M2 H49 H49 H 0 1 N N N 86.782 -40.541 3.713 15.315 3.301 1.368 H49 4M2 106 4M2 H50 H50 H 0 1 N N N 85.161 -40.151 3.044 13.813 3.589 2.280 H50 4M2 107 # # 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 4M2 CAC OBC SING N N 1 4M2 OBC CCB SING N N 2 4M2 CCB CBU SING N N 3 4M2 CCB CCA SING N N 4 4M2 CBU OAL SING N N 5 4M2 CBU CBY SING N N 6 4M2 CAB OBB SING N N 7 4M2 OAJ CBS SING N N 8 4M2 OBD CBY SING N N 9 4M2 OBD CAV SING N N 10 4M2 OBB CCA SING N N 11 4M2 OBE CBL SING N N 12 4M2 OBE CBX SING N N 13 4M2 CCA CBR SING N N 14 4M2 CBY OBG SING N N 15 4M2 OBA CBK SING N N 16 4M2 OBA CAA SING N N 17 4M2 CBL CBK DOUB N Z 18 4M2 CBL CBS SING N N 19 4M2 CBK CAV SING N N 20 4M2 CBT CBS SING N N 21 4M2 CBT CBX SING N N 22 4M2 CBT OAK SING N N 23 4M2 CBX OBF SING N N 24 4M2 OBF CBN SING N N 25 4M2 CBR OBG SING N N 26 4M2 CBR CAE SING N N 27 4M2 CAR CBN DOUB Y N 28 4M2 CAR CAP SING Y N 29 4M2 CAD CBI SING N N 30 4M2 CBN CAS SING Y N 31 4M2 CAP CBM DOUB Y N 32 4M2 CAS CAQ DOUB Y N 33 4M2 CBM CAQ SING Y N 34 4M2 CBM CAN SING N N 35 4M2 CBI CAN DOUB N E 36 4M2 CBI CBJ SING N N 37 4M2 OAH CBJ DOUB N N 38 4M2 CBJ NAZ SING N N 39 4M2 NAZ CBZ SING N N 40 4M2 CBZ CBV SING N N 41 4M2 CBZ CBW SING N N 42 4M2 CBV OAM SING N N 43 4M2 CBV CCC SING N N 44 4M2 OAI CAU SING N N 45 4M2 CAU CBW SING N N 46 4M2 CBW OBH SING N N 47 4M2 C8 N7 DOUB Y N 48 4M2 C8 N9 SING Y N 49 4M2 N7 C5 SING Y N 50 4M2 CAG N6 SING N N 51 4M2 CCC OBH SING N N 52 4M2 CCC N9 SING N N 53 4M2 N9 C4 SING Y N 54 4M2 C5 C4 DOUB Y N 55 4M2 C5 C6 SING Y N 56 4M2 C4 N3 SING Y N 57 4M2 N6 C6 SING N N 58 4M2 N6 CAF SING N N 59 4M2 C6 N1 DOUB Y N 60 4M2 N3 C2 DOUB Y N 61 4M2 N1 C2 SING Y N 62 4M2 C2 H1 SING N N 63 4M2 C8 H2 SING N N 64 4M2 CAC H3 SING N N 65 4M2 CAC H4 SING N N 66 4M2 CAC H5 SING N N 67 4M2 CCB H6 SING N N 68 4M2 CBU H7 SING N N 69 4M2 OAL H8 SING N N 70 4M2 CCA H9 SING N N 71 4M2 CAB H10 SING N N 72 4M2 CAB H11 SING N N 73 4M2 CAB H12 SING N N 74 4M2 CBR H13 SING N N 75 4M2 CAE H14 SING N N 76 4M2 CAE H15 SING N N 77 4M2 CAE H16 SING N N 78 4M2 CBY H17 SING N N 79 4M2 CAV H18 SING N N 80 4M2 CAV H19 SING N N 81 4M2 CAA H20 SING N N 82 4M2 CAA H21 SING N N 83 4M2 CAA H22 SING N N 84 4M2 CBS H23 SING N N 85 4M2 OAJ H24 SING N N 86 4M2 CBT H25 SING N N 87 4M2 OAK H26 SING N N 88 4M2 CBX H27 SING N N 89 4M2 CAS H28 SING N N 90 4M2 CAQ H29 SING N N 91 4M2 CAR H30 SING N N 92 4M2 CAP H31 SING N N 93 4M2 CAN H32 SING N N 94 4M2 CAD H33 SING N N 95 4M2 CAD H34 SING N N 96 4M2 CAD H35 SING N N 97 4M2 NAZ H36 SING N N 98 4M2 CBZ H37 SING N N 99 4M2 CBV H38 SING N N 100 4M2 OAM H39 SING N N 101 4M2 CBW H40 SING N N 102 4M2 CAU H41 SING N N 103 4M2 CAU H42 SING N N 104 4M2 OAI H43 SING N N 105 4M2 CCC H44 SING N N 106 4M2 CAG H45 SING N N 107 4M2 CAG H46 SING N N 108 4M2 CAG H47 SING N N 109 4M2 CAF H48 SING N N 110 4M2 CAF H49 SING N N 111 4M2 CAF H50 SING N N 112 # # 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 4M2 SMILES ACDLabs 12.01 "c12ncnc(c1ncn2C6C(C(NC(C(=[C@H]c5ccc(OC4OC(=C(/COC3C(C(OC)C(C(O3)C)OC)O)OC)/C(O)C4O)cc5)C)=O)C(O6)CO)O)N(C)C" 4M2 InChI InChI 1.03 "InChI=1S/C37H50N6O14/c1-17(34(49)41-23-21(13-44)56-35(25(23)45)43-16-40-24-32(42(3)4)38-15-39-33(24)43)12-19-8-10-20(11-9-19)55-37-27(47)26(46)30(57-37)22(50-5)14-53-36-28(48)31(52-7)29(51-6)18(2)54-36/h8-12,15-16,18,21,23,25-29,31,35-37,44-48H,13-14H2,1-7H3,(H,41,49)/b17-12+,30-22-/t18-,21-,23-,25-,26+,27+,28+,29-,31-,35-,36+,37+/m1/s1" 4M2 InChIKey InChI 1.03 HELPZWNRUYNCJQ-NADCVASFSA-N 4M2 SMILES_CANONICAL CACTVS 3.385 "CO[C@@H]1[C@@H](C)O[C@H](OC/C(OC)=C2/O[C@H](Oc3ccc(cc3)\C=C(/C)C(=O)N[C@H]4[C@@H](O)[C@@H](O[C@@H]4CO)n5cnc6c(ncnc56)N(C)C)[C@@H](O)[C@@H]2O)[C@@H](O)[C@H]1OC" 4M2 SMILES CACTVS 3.385 "CO[CH]1[CH](C)O[CH](OCC(OC)=C2O[CH](Oc3ccc(cc3)C=C(C)C(=O)N[CH]4[CH](O)[CH](O[CH]4CO)n5cnc6c(ncnc56)N(C)C)[CH](O)[CH]2O)[CH](O)[CH]1OC" 4M2 SMILES_CANONICAL "OpenEye OEToolkits" 1.9.2 "C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC/C(=C/2\[C@H]([C@@H]([C@H](O2)Oc3ccc(cc3)/C=C(\C)/C(=O)N[C@@H]4[C@H](O[C@H]([C@@H]4O)n5cnc6c5ncnc6N(C)C)CO)O)O)/OC)O)OC)OC" 4M2 SMILES "OpenEye OEToolkits" 1.9.2 "CC1C(C(C(C(O1)OCC(=C2C(C(C(O2)Oc3ccc(cc3)C=C(C)C(=O)NC4C(OC(C4O)n5cnc6c5ncnc6N(C)C)CO)O)O)OC)O)OC)OC" # # 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 4M2 "SYSTEMATIC NAME" ACDLabs 12.01 "3'-deoxy-3'-{[(2E)-3-(4-{[(4Z)-6-O-(6-deoxy-3,4-di-O-methyl-alpha-D-mannopyranosyl)-5-O-methyl-alpha-D-threo-hex-4-enofuranosyl]oxy}phenyl)-2-methylprop-2-enoyl]amino}-N,N-dimethyladenosine" 4M2 "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.9.2 "(E)-3-[4-[(2S,3S,4S,5Z)-5-[2-[(2S,3S,4R,5R,6R)-4,5-dimethoxy-6-methyl-3-oxidanyl-oxan-2-yl]oxy-1-methoxy-ethylidene]-3,4-bis(oxidanyl)oxolan-2-yl]oxyphenyl]-N-[(2S,3S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]-2-methyl-prop-2-enamide" # # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site 4M2 "Create component" 2015-04-14 RCSB 4M2 "Initial release" 2015-06-03 RCSB 4M2 "Modify synonyms" 2021-03-01 PDBE # _pdbx_chem_comp_synonyms.ordinal 1 _pdbx_chem_comp_synonyms.comp_id 4M2 _pdbx_chem_comp_synonyms.name A201A _pdbx_chem_comp_synonyms.provenance ? _pdbx_chem_comp_synonyms.type ? ##