TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T55285 Glycine receptor subunit alpha-1 D0M8AB Glycine Approved 750 C2H5NO2 75.07 C(C(=O)O)N EC50 = 94000 nM Poor binder T55285 Glycine receptor subunit alpha-1 B2VQA3 (1S,6R,8S,11S,13R,16R,17R)-8-Tert-butyl-6,17-dihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.0^{1,11}.0^{3,7}.0^{7,11}.0^{13,17}]nonadecane-5,18-dione Investigative 44420866 C20H26O8 394.4 C[C@@H]1CO[C@H]2[C@]1([C@]34C(=O)OC5[C@]3(C2)C6([C@@H](C5)C(C)(C)C)[C@H](C(=O)OC6O4)O)O IC50 ~ 100000 nM Poor binder T55285 Glycine receptor subunit alpha-2 B2VQA3 (1S,6R,8S,11S,13R,16R,17R)-8-Tert-butyl-6,17-dihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.0^{1,11}.0^{3,7}.0^{7,11}.0^{13,17}]nonadecane-5,18-dione Investigative 44420866 C20H26O8 394.4 C[C@@H]1CO[C@H]2[C@]1([C@]34C(=O)OC5[C@]3(C2)C6([C@@H](C5)C(C)(C)C)[C@H](C(=O)OC6O4)O)O IC50 ~ 100000 nM Poor binder T55285 Glycine receptor subunit alpha-1 B2YIL1 (1S,6R,8S,11S,13S,16R,17R)-8-Tert-butyl-6,17-dihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.0^{1,11}.0^{3,7}.0^{7,11}.0^{13,17}]nonadecan-18-one Investigative 44420867 C20H28O7 380.4 C[C@@H]1CO[C@@H]2[C@]1([C@]34C(=O)OC5[C@]3(C2)C6([C@@H](C5)C(C)(C)C)[C@H](COC6O4)O)O IC50 ~ 100000 nM Poor binder T55285 Glycine receptor subunit alpha-2 B2YIL1 (1S,6R,8S,11S,13S,16R,17R)-8-Tert-butyl-6,17-dihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.0^{1,11}.0^{3,7}.0^{7,11}.0^{13,17}]nonadecan-18-one Investigative 44420867 C20H28O7 380.4 C[C@@H]1CO[C@@H]2[C@]1([C@]34C(=O)OC5[C@]3(C2)C6([C@@H](C5)C(C)(C)C)[C@H](COC6O4)O)O IC50 ~ 100000 nM Poor binder T55285 Glycine receptor subunit alpha-1 B3BO2P Methyl 2-[(1R,6R,8S,11S,14E)-8-tert-butyl-6-hydroxy-5,15-dioxo-2,4,16-trioxapentacyclo[8.4.2.0^{1,11}.0^{3,7}.0^{7,11}]hexadecan-14-ylidene]propanoate Investigative 44420862 C21H26O8 406.4 C/C(=C\\1/CC[C@@]23[C@@]14C(=O)OC2C[C@H](C35[C@H](C(=O)OC5O4)O)C(C)(C)C)/C(=O)OC IC50 ~ 100000 nM Poor binder T55285 Glycine receptor subunit alpha-2 B3BO2P Methyl 2-[(1R,6R,8S,11S,14E)-8-tert-butyl-6-hydroxy-5,15-dioxo-2,4,16-trioxapentacyclo[8.4.2.0^{1,11}.0^{3,7}.0^{7,11}]hexadecan-14-ylidene]propanoate Investigative 44420862 C21H26O8 406.4 C/C(=C\\1/CC[C@@]23[C@@]14C(=O)OC2C[C@H](C35[C@H](C(=O)OC5O4)O)C(C)(C)C)/C(=O)OC IC50 ~ 100000 nM Poor binder T55285 Glycine receptor subunit alpha-1 B41KYB 2-[(1S,9R,18R,19S,21R,22R,23R,25R,32S,34R,35R,36S)-31-(2-Acetyloxyethyl)-24-phenyl-10,26-dioxa-8,24-diaza-15,31-diazoniaundecacyclo[29.5.2.01,32.02,7.08,36.09,22.013,21.015,19.018,23.025,35.029,34]octatriaconta-2,4,6,12,28-pentaen-15-yl]ethyl acetate;dibromide Investigative 44427862 C46H56Br2N4O6 920.8 CC(=O)OCC[N+]12CC[C@H]3[C@@H]1C[C@@H]4[C@@H]5[C@@H]3N([C@H]6[C@@H]7[C@H]8C[C@H]9[C@@]1([C@H]7N([C@@H]5OCC=C4C2)C2=CC=CC=C21)CC[N+]9(CC8=CCO6)CCOC(=O)C)C1=CC=CC=C1.[Br-].[Br-] IC50 ~ 100000 nM Poor binder T55285 Glycine receptor subunit alpha-1 B4BIW7 10-Acetoxy-ginkgolide B Investigative 44420842 C22H26O10 450.4 C[C@@H]1C(=O)O[C@@H]2[C@]1([C@]34C(=O)OC5[C@]3(C2)C6([C@@H](C5)C(C)(C)C)[C@H](C(=O)OC6O4)OC(=O)C)O IC50 ~ 100000 nM Poor binder T55285 Glycine receptor subunit alpha-2 B4BIW7 10-Acetoxy-ginkgolide B Investigative 44420842 C22H26O10 450.4 C[C@@H]1C(=O)O[C@@H]2[C@]1([C@]34C(=O)OC5[C@]3(C2)C6([C@@H](C5)C(C)(C)C)[C@H](C(=O)OC6O4)OC(=O)C)O IC50 ~ 100000 nM Poor binder T55285 Glycine receptor subunit alpha-1 B4ETX5 (1R,6R,8S,11S)-8-Tert-butyl-6,13-dimethoxy-2,4,14,17-tetraoxapentacyclo[8.5.2.0^{1,11}.0^{3,7}.0^{7,11}]heptadecane-5,15,16-trione Investigative 44420857 C19H24O9 396.4 CC(C)(C)[C@@H]1CC2[C@]34C15[C@H](C(=O)OC5O[C@]3(C(=O)O2)C(=O)OC(C4)OC)OC IC50 ~ 100000 nM Poor binder T55285 Glycine receptor subunit alpha-2 B4ETX5 (1R,6R,8S,11S)-8-Tert-butyl-6,13-dimethoxy-2,4,14,17-tetraoxapentacyclo[8.5.2.0^{1,11}.0^{3,7}.0^{7,11}]heptadecane-5,15,16-trione Investigative 44420857 C19H24O9 396.4 CC(C)(C)[C@@H]1CC2[C@]34C15[C@H](C(=O)OC5O[C@]3(C(=O)O2)C(=O)OC(C4)OC)OC IC50 ~ 100000 nM Poor binder T55285 Glycine receptor subunit alpha-1 B5HGK1 (1S,6R,8S,9R,11S,12R,13S,16S,17R)-8-Tert-butyl-6,12,17-trihydroxy-16-methyl-5,15,18-trioxo-2,4,14,19-tetraoxahexacyclo[8.7.2.0^{1,11}.0^{3,7}.0^{7,11}.0^{13,17}]nonadecan-9-yl trifluoromethanesulfonate Investigative 44420880 C21H23F3O13S 572.5 C[C@@H]1C(=O)O[C@@H]2[C@]1([C@]34C(=O)OC5[C@@]3([C@H]2O)C6([C@@H]([C@H]5OS(=O)(=O)C(F)(F)F)C(C)(C)C)[C@H](C(=O)OC6O4)O)O IC50 ~ 100000 nM Poor binder T55285 Glycine receptor subunit alpha-2 B5HGK1 (1S,6R,8S,9R,11S,12R,13S,16S,17R)-8-Tert-butyl-6,12,17-trihydroxy-16-methyl-5,15,18-trioxo-2,4,14,19-tetraoxahexacyclo[8.7.2.0^{1,11}.0^{3,7}.0^{7,11}.0^{13,17}]nonadecan-9-yl trifluoromethanesulfonate Investigative 44420880 C21H23F3O13S 572.5 C[C@@H]1C(=O)O[C@@H]2[C@]1([C@]34C(=O)OC5[C@@]3([C@H]2O)C6([C@@H]([C@H]5OS(=O)(=O)C(F)(F)F)C(C)(C)C)[C@H](C(=O)OC6O4)O)O IC50 ~ 100000 nM Poor binder T55285 Glycine receptor subunit alpha-1 B6DS0X [20-[[Dimethyl-[(4-nitrophenyl)methyl]azaniumyl]methyl]-3,13-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(20),4,6,8,10,14,16,18-octaen-10-yl]methyl-dimethyl-[(4-nitrophenyl)methyl]azanium;dibromide Investigative 17758335 C38H40Br2N6O4 804.6 C[N+](C)(CC1=CC=C(C=C1)[N+](=O)[O-])CC2=C3CN4C(=C(C5=CC=CC=C54)C[N+](C)(C)CC6=CC=C(C=C6)[N+](=O)[O-])CN3C7=CC=CC=C72.[Br-].[Br-] IC50 ~ 100000 nM Poor binder T55285 Glycine receptor subunit alpha-1 B6UNE7 10-Methoxymethyloxy-ginkgolide A Investigative 44420847 C22H28O10 452.5 C[C@@H]1C(=O)O[C@@H]2[C@]1([C@]34[C@@]5(C2)[C@@H](C[C@H]([C@@]56[C@H](C(=O)O[C@H]6O3)OCOC)C(C)(C)C)C(=O)O4)O IC50 ~ 100000 nM Poor binder T55285 Glycine receptor subunit alpha-2 B6UNE7 10-Methoxymethyloxy-ginkgolide A Investigative 44420847 C22H28O10 452.5 C[C@@H]1C(=O)O[C@@H]2[C@]1([C@]34[C@@]5(C2)[C@@H](C[C@H]([C@@]56[C@H](C(=O)O[C@H]6O3)OCOC)C(C)(C)C)C(=O)O4)O IC50 ~ 100000 nM Poor binder T55285 Glycine receptor subunit alpha-1 B71ORY (1S,6R,8S,9S,11R,12R,13S,16S,17R)-8-Tert-butyl-6,9,12,17-tetrahydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.0^{1,11}.0^{3,7}.0^{7,11}.0^{13,17}]nonadecane-5,15,18-trione Investigative 44420875 C20H24O11 440.4 C[C@@H]1C(=O)O[C@@H]2[C@]1([C@]34C(=O)OC5[C@]3([C@H]2O)C6([C@@H]([C@@H]5O)C(C)(C)C)[C@H](C(=O)OC6O4)O)O IC50 ~ 100000 nM Poor binder T55285 Glycine receptor subunit alpha-2 B71ORY (1S,6R,8S,9S,11R,12R,13S,16S,17R)-8-Tert-butyl-6,9,12,17-tetrahydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.0^{1,11}.0^{3,7}.0^{7,11}.0^{13,17}]nonadecane-5,15,18-trione Investigative 44420875 C20H24O11 440.4 C[C@@H]1C(=O)O[C@@H]2[C@]1([C@]34C(=O)OC5[C@]3([C@H]2O)C6([C@@H]([C@@H]5O)C(C)(C)C)[C@H](C(=O)OC6O4)O)O IC50 ~ 100000 nM Poor binder T55285 Glycine receptor subunit alpha-1 B83VWU (1S,9R,18R,19S,21R,22R,23R,25R,32S,34R,35R,36S)-15,31-Bis[(3,4-dimethoxyphenyl)methyl]-24-phenyl-10,26-dioxa-8,24-diaza-15,31-diazoniaundecacyclo[29.5.2.01,32.02,7.08,36.09,22.013,21.015,19.018,23.025,35.029,34]octatriaconta-2,4,6,12,28-pentaene;dichloride Investigative 44427868 C56H64Cl2N4O6 960 COC1=C(C=C(C=C1)C[N+]23CC[C@H]4[C@@H]2C[C@@H]5[C@@H]6[C@@H]4N([C@H]7[C@@H]8[C@H]9C[C@H]1[C@@]2([C@H]8N([C@@H]6OCC=C5C3)C3=CC=CC=C32)CC[N+]1(CC9=CCO7)CC1=CC(=C(C=C1)OC)OC)C1=CC=CC=C1)OC.[Cl-].[Cl-] IC50 ~ 100000 nM Poor binder T55285 Glycine receptor subunit alpha-1 B9S5TL (1R,9R,18R,19S,21R,22R,23R,25R,32S,34R,35R,36S)-24-Phenyl-15-prop-2-enyl-10,26-dioxa-8,24,31-triaza-15-azoniaundecacyclo[29.5.2.01,32.02,7.08,36.09,22.013,21.015,19.018,23.025,35.029,34]octatriaconta-2,4,6,12,28-pentaene;bromide Investigative 44427856 C41H47BrN4O2 707.7 C=CC[N+]12CC[C@H]3[C@@H]1C[C@@H]4[C@@H]5[C@@H]3N([C@H]6[C@@H]7[C@H]8C[C@H]9[C@@]1([C@H]7N([C@@H]5OCC=C4C2)C2=CC=CC=C21)CCN9CC8=CCO6)C1=CC=CC=C1.[Br-] IC50 ~ 100000 nM Poor binder T55285 Glycine receptor subunit alpha-1 BA20PH (1S,9R,18R,19S,21R,22R,23R,25R,32S,34R,35R,36S)-15,31-Dibenzyl-24-phenyl-10,26-dioxa-8,24-diaza-15,31-diazoniaundecacyclo[29.5.2.01,32.02,7.08,36.09,22.013,21.015,19.018,23.025,35.029,34]octatriaconta-2,4,6,12,28-pentaene;dibromide Investigative 44427866 C52H56Br2N4O2 928.8 C1C[N+]2(CC3=CCO[C@@H]4[C@@H]5[C@H]3C[C@H]2[C@H]1[C@H]5N([C@H]6[C@@H]7[C@H]8C[C@H]9[C@@]1([C@H]7N4C2=CC=CC=C21)CC[N+]9(CC8=CCO6)CC1=CC=CC=C1)C1=CC=CC=C1)CC1=CC=CC=C1.[Br-].[Br-] IC50 ~ 100000 nM Poor binder T55285 Glycine receptor subunit alpha-1 BA5OF9 (1R,6R,8S,11S,13S,16R,17R)-8-Tert-butyl-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.0^{1,11}.0^{3,7}.0^{7,11}.0^{13,17}]nonadecane-6,17-diol Investigative 44420868 C20H30O6 366.4 C[C@@H]1CO[C@@H]2[C@]1([C@]34COC5[C@]3(C2)C6([C@@H](C5)C(C)(C)C)[C@H](COC6O4)O)O IC50 ~ 100000 nM Poor binder T55285 Glycine receptor subunit alpha-2 BA5OF9 (1R,6R,8S,11S,13S,16R,17R)-8-Tert-butyl-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.0^{1,11}.0^{3,7}.0^{7,11}.0^{13,17}]nonadecane-6,17-diol Investigative 44420868 C20H30O6 366.4 C[C@@H]1CO[C@@H]2[C@]1([C@]34COC5[C@]3(C2)C6([C@@H](C5)C(C)(C)C)[C@H](COC6O4)O)O IC50 ~ 100000 nM Poor binder T55285 Glycine receptor subunit alpha-1 BD8H2U 1,23,14-Dianhydro-Ginkgolide C Investigative 44420848 C20H20O9 404.4 CC1=C2C(=C[C@@]34[C@@]25C(=O)OC3[C@@H]([C@H](C46[C@H](C(=O)OC6O5)O)C(C)(C)C)O)OC1=O IC50 ~ 100000 nM Poor binder T55285 Glycine receptor subunit alpha-2 BD8H2U 1,23,14-Dianhydro-Ginkgolide C Investigative 44420848 C20H20O9 404.4 CC1=C2C(=C[C@@]34[C@@]25C(=O)OC3[C@@H]([C@H](C46[C@H](C(=O)OC6O5)O)C(C)(C)C)O)OC1=O IC50 ~ 100000 nM Poor binder T55285 Glycine receptor subunit alpha-1 BE1W2K Trimethyl-[[20-[(trimethylazaniumyl)methyl]-3,13-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(20),4,6,8,10,14,16,18-octaen-10-yl]methyl]azanium;diiodide Investigative 44408895 C26H34I2N4 656.4 C[N+](C)(C)CC1=C2CN3C(=C(C4=CC=CC=C43)C[N+](C)(C)C)CN2C5=CC=CC=C51.[I-].[I-] IC50 ~ 100000 nM Poor binder T55285 Glycine receptor subunit alpha-1 BEK9S2 (1R,9R,18S,19S,21R,22R,23R,25R,32S,34R,35R,36S)-24-Phenyl-10,26-dioxa-8,15,24,31-tetraazaundecacyclo[29.5.2.0^{1,32}.0^{2,7}.0^{8,36}.0^{9,22}.0^{13,21}.0^{15,19}.0^{18,23}.0^{25,35}.0^{29,34}]octatriaconta-2,4,6,12,28-pentaene Investigative 44427853 C38H42N4O2 586.8 C1CN2CC3=CCO[C@@H]4[C@@H]5[C@H]3C[C@H]2[C@H]1[C@H]5N([C@H]6[C@@H]7[C@H]8C[C@H]9[C@@]1([C@H]7N4C2=CC=CC=C21)CCN9CC8=CCO6)C1=CC=CC=C1 IC50 ~ 100000 nM Poor binder T55285 Glycine receptor subunit alpha-1 BEU4I5 (1S,6R,8S,11R,12R,13S,16S,17R)-8-Tert-butyl-6,12,17-trihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.0^{1,11}.0^{3,7}.0^{7,11}.0^{13,17}]nonadecane-5,9,15,18-tetrone Investigative 44420879 C20H22O11 438.4 C[C@@H]1C(=O)O[C@@H]2[C@]1([C@]34C(=O)OC5[C@]3([C@H]2O)C6([C@@H](C5=O)C(C)(C)C)[C@H](C(=O)OC6O4)O)O IC50 ~ 100000 nM Poor binder T55285 Glycine receptor subunit alpha-2 BEU4I5 (1S,6R,8S,11R,12R,13S,16S,17R)-8-Tert-butyl-6,12,17-trihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.0^{1,11}.0^{3,7}.0^{7,11}.0^{13,17}]nonadecane-5,9,15,18-tetrone Investigative 44420879 C20H22O11 438.4 C[C@@H]1C(=O)O[C@@H]2[C@]1([C@]34C(=O)OC5[C@]3([C@H]2O)C6([C@@H](C5=O)C(C)(C)C)[C@H](C(=O)OC6O4)O)O IC50 ~ 100000 nM Poor binder T55285 Glycine receptor subunit alpha-1 BHJ0F6 [(1R,6R,8S,11S,13S,16R,17S)-8-Tert-butyl-16-methyl-5,15,18-trioxo-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecan-6-yl] acetate Investigative 44420843 C22H26O9 434.4 C[C@@H]1[C@H]2[C@H](C[C@@]34[C@@]25C(=O)OC3C[C@H](C46[C@H](C(=O)OC6O5)OC(=O)C)C(C)(C)C)OC1=O IC50 ~ 100000 nM Poor binder T55285 Glycine receptor subunit alpha-2 BHJ0F6 [(1R,6R,8S,11S,13S,16R,17S)-8-Tert-butyl-16-methyl-5,15,18-trioxo-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecan-6-yl] acetate Investigative 44420843 C22H26O9 434.4 C[C@@H]1[C@H]2[C@H](C[C@@]34[C@@]25C(=O)OC3C[C@H](C46[C@H](C(=O)OC6O5)OC(=O)C)C(C)(C)C)OC1=O IC50 ~ 100000 nM Poor binder T55285 Glycine receptor subunit alpha-1 BHL1E2 (1S,2R,3S,6S,8S,10R)-10-Tert-butyl-2-hydroxy-3-methyl-5,13,15-trioxapentacyclo[7.5.2.0^{1,8}.0^{2,6}.0^{8,12}]hexadecane-4,14,16-trione Investigative 44420854 C18H22O7 350.4 C[C@@H]1C(=O)O[C@@H]2[C@]1([C@]34C(=O)OC5[C@]3(C2)C([C@@H](C5)C(C)(C)C)C(=O)O4)O IC50 ~ 100000 nM Poor binder T55285 Glycine receptor subunit alpha-2 BHL1E2 (1S,2R,3S,6S,8S,10R)-10-Tert-butyl-2-hydroxy-3-methyl-5,13,15-trioxapentacyclo[7.5.2.0^{1,8}.0^{2,6}.0^{8,12}]hexadecane-4,14,16-trione Investigative 44420854 C18H22O7 350.4 C[C@@H]1C(=O)O[C@@H]2[C@]1([C@]34C(=O)OC5[C@]3(C2)C([C@@H](C5)C(C)(C)C)C(=O)O4)O IC50 ~ 100000 nM Poor binder T55285 Glycine receptor subunit alpha-1 BHTQ95 (1S,9R,18R,19S,21R,22R,23R,25R,32S,34R,35R,36S)-15,31-Bis[(4-bromophenyl)methyl]-24-phenyl-10,26-dioxa-8,24-diaza-15,31-diazoniaundecacyclo[29.5.2.01,32.02,7.08,36.09,22.013,21.015,19.018,23.025,35.029,34]octatriaconta-2,4,6,12,28-pentaene;dibromide Investigative 44427870 C52H54Br4N4O2 1086.6 C1C[N+]2(CC3=CCO[C@@H]4[C@@H]5[C@H]3C[C@H]2[C@H]1[C@H]5N([C@H]6[C@@H]7[C@H]8C[C@H]9[C@@]1([C@H]7N4C2=CC=CC=C21)CC[N+]9(CC8=CCO6)CC1=CC=C(C=C1)Br)C1=CC=CC=C1)CC1=CC=C(C=C1)Br.[Br-].[Br-] IC50 ~ 100000 nM Poor binder T55285 Glycine receptor subunit alpha-1 BIT3A1 (2E)-2-[(1S,9Z,11S,13S,17R,18R,20R,27S,29R,30R,31S)-14,26-Bis[(3,4-dimethoxyphenyl)methyl]-19-phenyl-21-oxa-8,19-diaza-14,26-diazoniadecacyclo[24.5.2.211,14.01,27.02,7.08,31.010,18.013,17.020,30.024,29]pentatriaconta-2,4,6,9,23-pentaen-35-ylidene]ethanol;dichloride Investigative 44427881 C56H64Cl2N4O6 960 COC1=C(C=C(C=C1)C[N+]23CC[C@H]4[C@@H]2C[C@@H](/C(=C\\CO)/C3)/C/5=C/N6[C@H]7[C@H]8[C@H]9C[C@H]1[C@@]7(CC[N+]1(CC9=CCO[C@H]8N([C@H]45)C1=CC=CC=C1)CC1=CC(=C(C=C1)OC)OC)C1=CC=CC=C16)OC.[Cl-].[Cl-] IC50 ~ 100000 nM Poor binder T55285 Glycine receptor subunit alpha-1 BJ0P6F Methyl 2-[(1R,6R,8S,11S,14R)-8-tert-butyl-6-hydroxy-5,15-dioxo-2,4,16-trioxapentacyclo[8.4.2.0^{1,11}.0^{3,7}.0^{7,11}]hexadecan-14-yl]propanoate Investigative 44420865 C21H28O8 408.4 CC([C@H]1CC[C@@]23[C@@]14C(=O)OC2C[C@H](C35[C@H](C(=O)OC5O4)O)C(C)(C)C)C(=O)OC IC50 ~ 100000 nM Poor binder T55285 Glycine receptor subunit alpha-2 BJ0P6F Methyl 2-[(1R,6R,8S,11S,14R)-8-tert-butyl-6-hydroxy-5,15-dioxo-2,4,16-trioxapentacyclo[8.4.2.0^{1,11}.0^{3,7}.0^{7,11}]hexadecan-14-yl]propanoate Investigative 44420865 C21H28O8 408.4 CC([C@H]1CC[C@@]23[C@@]14C(=O)OC2C[C@H](C35[C@H](C(=O)OC5O4)O)C(C)(C)C)C(=O)OC IC50 ~ 100000 nM Poor binder T55285 Glycine receptor subunit alpha-1 BJ1U5P (1S,9R,18R,19S,21R,22R,23R,25R,32S,34R,35R,36S)-15,31-Di(cyclohex-2-en-1-yl)-24-phenyl-10,26-dioxa-8,24-diaza-15,31-diazoniaundecacyclo[29.5.2.01,32.02,7.08,36.09,22.013,21.015,19.018,23.025,35.029,34]octatriaconta-2,4,6,12,28-pentaene;dibromide Investigative 44427864 C50H60Br2N4O2 908.8 C1CC=CC(C1)[N+]23CC[C@H]4[C@@H]2C[C@@H]5[C@@H]6[C@@H]4N([C@H]7[C@@H]8[C@H]9C[C@H]1[C@@]2([C@H]8N([C@@H]6OCC=C5C3)C3=CC=CC=C32)CC[N+]1(CC9=CCO7)C1CCCC=C1)C1=CC=CC=C1.[Br-].[Br-] IC50 ~ 100000 nM Poor binder T55285 Glycine receptor subunit alpha-1 BJ2M5B (1S,6R,8S,9S,11R,12R,13S,16S,17R)-8-Tert-butyl-6,12,17-trihydroxy-16-methyl-5,15,18-trioxo-2,4,14,19-tetraoxahexacyclo[8.7.2.0^{1,11}.0^{3,7}.0^{7,11}.0^{13,17}]nonadecan-9-yl 2-phenylacetate Investigative 44420872 C28H30O12 558.5 C[C@@H]1C(=O)O[C@@H]2[C@]1([C@]34C(=O)OC5[C@]3([C@H]2O)C6([C@@H]([C@@H]5OC(=O)CC7=CC=CC=C7)C(C)(C)C)[C@H](C(=O)OC6O4)O)O IC50 ~ 100000 nM Poor binder T55285 Glycine receptor subunit alpha-2 BJ2M5B (1S,6R,8S,9S,11R,12R,13S,16S,17R)-8-Tert-butyl-6,12,17-trihydroxy-16-methyl-5,15,18-trioxo-2,4,14,19-tetraoxahexacyclo[8.7.2.0^{1,11}.0^{3,7}.0^{7,11}.0^{13,17}]nonadecan-9-yl 2-phenylacetate Investigative 44420872 C28H30O12 558.5 C[C@@H]1C(=O)O[C@@H]2[C@]1([C@]34C(=O)OC5[C@]3([C@H]2O)C6([C@@H]([C@@H]5OC(=O)CC7=CC=CC=C7)C(C)(C)C)[C@H](C(=O)OC6O4)O)O IC50 ~ 100000 nM Poor binder T55285 Glycine receptor subunit alpha-1 BK2E1J [20-[[Dimethyl(prop-2-enyl)azaniumyl]methyl]-3,13-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(20),4,6,8,10,14,16,18-octaen-10-yl]methyl-dimethyl-prop-2-enylazanium;dibromide Investigative 44408940 C30H38Br2N4 614.5 C[N+](C)(CC=C)CC1=C2CN3C(=C(C4=CC=CC=C43)C[N+](C)(C)CC=C)CN2C5=CC=CC=C51.[Br-].[Br-] IC50 ~ 100000 nM Poor binder T55285 Glycine receptor subunit alpha-3 BKM4G0 5-[(1H-Indol-3-yl)methylidene]-1,3-dimethylimidazolidine-2,4-dione Investigative 135753564 C14H13N3O2 255.27 CN1C(=C(N(C1=O)C)O)/C=C/2\\C=NC3=CC=CC=C32 IC50 = 67000 nM Poor binder T55285 Glycine receptor subunit alpha-1 BL1F9Q Methyl (2R)-2-[(1S,2R,3S,6S,8S,10S)-10-tert-butyl-2-hydroxy-16-methoxy-3-methyl-4,14-dioxo-5,13,15-trioxapentacyclo[7.5.2.0^{1,8}.0^{2,6}.0^{8,12}]hexadecan-9-yl]-2-methoxyacetate Investigative 44420851 C23H32O10 468.5 C[C@@H]1C(=O)O[C@@H]2[C@]1([C@]34C(=O)OC5[C@]3(C2)C([C@@H](C5)C(C)(C)C)(C(O4)OC)[C@H](C(=O)OC)OC)O IC50 ~ 100000 nM Poor binder T55285 Glycine receptor subunit alpha-2 BL1F9Q Methyl (2R)-2-[(1S,2R,3S,6S,8S,10S)-10-tert-butyl-2-hydroxy-16-methoxy-3-methyl-4,14-dioxo-5,13,15-trioxapentacyclo[7.5.2.0^{1,8}.0^{2,6}.0^{8,12}]hexadecan-9-yl]-2-methoxyacetate Investigative 44420851 C23H32O10 468.5 C[C@@H]1C(=O)O[C@@H]2[C@]1([C@]34C(=O)OC5[C@]3(C2)C([C@@H](C5)C(C)(C)C)(C(O4)OC)[C@H](C(=O)OC)OC)O IC50 ~ 100000 nM Poor binder T55285 Glycine receptor subunit alpha-1 BMB03R 2-[(1R,11S,13S,17S,18R,20R,27S,29R,30R,31S,35E)-19-Phenyl-21-oxa-8,14,19,26-tetraazadecacyclo[24.5.2.2^{11,14}.0^{1,27}.0^{2,7}.0^{8,31}.0^{10,18}.0^{13,17}.0^{20,30}.0^{24,29}]pentatriaconta-2,4,6,9,23-pentaen-35-ylidene]ethan-1-ol Investigative 44427876 C38H42N4O2 586.8 C1CN2C/C(=C/CO)/[C@@H]\\3C[C@H]2[C@H]1[C@@H]4/C3=C\\N5[C@H]6[C@H]7[C@H]8C[C@H]9[C@@]6(CCN9CC8=CCO[C@H]7N4C1=CC=CC=C1)C1=CC=CC=C15 IC50 ~ 100000 nM Poor binder T55285 Glycine receptor subunit alpha-1 BN0W7L (1S,6R,8S,9S,11R,12R,13S,16S,17R)-8-Tert-butyl-6,12,17-trihydroxy-16-methyl-9-(methylamino)-2,4,14,19-tetraoxahexacyclo[8.7.2.0^{1,11}.0^{3,7}.0^{7,11}.0^{13,17}]nonadecane-5,15,18-trione Investigative 44420870 C21H27NO10 453.4 C[C@@H]1C(=O)O[C@@H]2[C@]1([C@]34C(=O)OC5[C@]3([C@H]2O)C6([C@@H]([C@@H]5NC)C(C)(C)C)[C@H](C(=O)OC6O4)O)O IC50 ~ 100000 nM Poor binder T55285 Glycine receptor subunit alpha-2 BN0W7L (1S,6R,8S,9S,11R,12R,13S,16S,17R)-8-Tert-butyl-6,12,17-trihydroxy-16-methyl-9-(methylamino)-2,4,14,19-tetraoxahexacyclo[8.7.2.0^{1,11}.0^{3,7}.0^{7,11}.0^{13,17}]nonadecane-5,15,18-trione Investigative 44420870 C21H27NO10 453.4 C[C@@H]1C(=O)O[C@@H]2[C@]1([C@]34C(=O)OC5[C@]3([C@H]2O)C6([C@@H]([C@@H]5NC)C(C)(C)C)[C@H](C(=O)OC6O4)O)O IC50 ~ 100000 nM Poor binder T55285 Glycine receptor subunit alpha-1 BND69V (2E)-2-[(1S,9Z,11S,13S,17R,18R,20R,27S,29R,30R,31S)-14,26-Di(cyclohex-2-en-1-yl)-19-phenyl-21-oxa-8,19-diaza-14,26-diazoniadecacyclo[24.5.2.211,14.01,27.02,7.08,31.010,18.013,17.020,30.024,29]pentatriaconta-2,4,6,9,23-pentaen-35-ylidene]ethanol;dibromide Investigative 44427879 C50H60Br2N4O2 908.8 C1CC=CC(C1)[N+]23CC[C@H]4[C@@H]2C[C@@H](/C(=C\\CO)/C3)/C/5=C/N6[C@H]7[C@H]8[C@H]9C[C@H]1[C@@]7(CC[N+]1(CC9=CCO[C@H]8N([C@H]45)C1=CC=CC=C1)C1CCCC=C1)C1=CC=CC=C16.[Br-].[Br-] IC50 ~ 100000 nM Poor binder T55285 Glycine receptor subunit alpha-1 BOHE83 (1S,9R,18R,19S,21R,22R,23R,25R,32S,34R,35R,36S)-15,31-Bis[(4-nitrophenyl)methyl]-24-phenyl-10,26-dioxa-8,24-diaza-15,31-diazoniaundecacyclo[29.5.2.01,32.02,7.08,36.09,22.013,21.015,19.018,23.025,35.029,34]octatriaconta-2,4,6,12,28-pentaene;dibromide Investigative 44427872 C52H54Br2N6O6 1018.8 C1C[N+]2(CC3=CCO[C@@H]4[C@@H]5[C@H]3C[C@H]2[C@H]1[C@H]5N([C@H]6[C@@H]7[C@H]8C[C@H]9[C@@]1([C@H]7N4C2=CC=CC=C21)CC[N+]9(CC8=CCO6)CC1=CC=C(C=C1)[N+](=O)[O-])C1=CC=CC=C1)CC1=CC=C(C=C1)[N+](=O)[O-].[Br-].[Br-] IC50 ~ 100000 nM Poor binder T55285 Glycine receptor subunit alpha-1 BQG2Z4 (1S,9R,18R,19S,21R,22R,23R,25R,32S,34R,35R,36S)-24-Phenyl-15,31-bis(prop-2-enyl)-10,26-dioxa-8,24-diaza-15,31-diazoniaundecacyclo[29.5.2.01,32.02,7.08,36.09,22.013,21.015,19.018,23.025,35.029,34]octatriaconta-2,4,6,12,28-pentaene;dibromide Investigative 44427858 C44H52Br2N4O2 828.7 C=CC[N+]12CC[C@H]3[C@@H]1C[C@@H]4[C@@H]5[C@@H]3N([C@H]6[C@@H]7[C@H]8C[C@H]9[C@@]1([C@H]7N([C@@H]5OCC=C4C2)C2=CC=CC=C21)CC[N+]9(CC8=CCO6)CC=C)C1=CC=CC=C1.[Br-].[Br-] IC50 ~ 100000 nM Poor binder T55285 Glycine receptor subunit alpha-1 BR4EJ5 (1S,6R,8S,9S,11R,12R,13S,16S,17R)-8-Tert-butyl-6,12,17-trihydroxy-16-methyl-5,15,18-trioxo-2,4,14,19-tetraoxahexacyclo[8.7.2.0^{1,11}.0^{3,7}.0^{7,11}.0^{13,17}]nonadecan-9-yl acetate Investigative 44420876 C22H26O12 482.4 C[C@@H]1C(=O)O[C@@H]2[C@]1([C@]34C(=O)OC5[C@]3([C@H]2O)C6([C@@H]([C@@H]5OC(=O)C)C(C)(C)C)[C@H](C(=O)OC6O4)O)O IC50 ~ 100000 nM Poor binder T55285 Glycine receptor subunit alpha-2 BR4EJ5 (1S,6R,8S,9S,11R,12R,13S,16S,17R)-8-Tert-butyl-6,12,17-trihydroxy-16-methyl-5,15,18-trioxo-2,4,14,19-tetraoxahexacyclo[8.7.2.0^{1,11}.0^{3,7}.0^{7,11}.0^{13,17}]nonadecan-9-yl acetate Investigative 44420876 C22H26O12 482.4 C[C@@H]1C(=O)O[C@@H]2[C@]1([C@]34C(=O)OC5[C@]3([C@H]2O)C6([C@@H]([C@@H]5OC(=O)C)C(C)(C)C)[C@H](C(=O)OC6O4)O)O IC50 ~ 100000 nM Poor binder T55285 Glycine receptor subunit alpha-1 BRT8J6 (1S,9R,18R,19S,21R,22R,23R,25R,32S,34R,35R,36S)-15,31-Dimethyl-24-phenyl-10,26-dioxa-8,24-diaza-15,31-diazoniaundecacyclo[29.5.2.01,32.02,7.08,36.09,22.013,21.015,19.018,23.025,35.029,34]octatriaconta-2,4,6,12,28-pentaene;diiodide Investigative 44427854 C40H48I2N4O2 870.6 C[N+]12CC[C@H]3[C@@H]1C[C@@H]4[C@@H]5[C@@H]3N([C@H]6[C@@H]7[C@H]8C[C@H]9[C@@]1([C@H]7N([C@@H]5OCC=C4C2)C2=CC=CC=C21)CC[N+]9(CC8=CCO6)C)C1=CC=CC=C1.[I-].[I-] IC50 ~ 100000 nM Poor binder T55285 Glycine receptor subunit alpha-1 BS1Z9N (1S,8S,11S,13S,16S,17R)-8-Tert-butyl-17-hydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.0^{1,11}.0^{3,7}.0^{7,11}.0^{13,17}]nonadecane-5,6,15,18-tetrone Investigative 44420840 C20H22O9 406.4 C[C@@H]1C(=O)O[C@@H]2[C@]1([C@]34C(=O)OC5[C@]3(C2)C6([C@@H](C5)C(C)(C)C)C(O4)OC(=O)C6=O)O IC50 ~ 100000 nM Poor binder T55285 Glycine receptor subunit alpha-2 BS1Z9N (1S,8S,11S,13S,16S,17R)-8-Tert-butyl-17-hydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.0^{1,11}.0^{3,7}.0^{7,11}.0^{13,17}]nonadecane-5,6,15,18-tetrone Investigative 44420840 C20H22O9 406.4 C[C@@H]1C(=O)O[C@@H]2[C@]1([C@]34C(=O)OC5[C@]3(C2)C6([C@@H](C5)C(C)(C)C)C(O4)OC(=O)C6=O)O IC50 ~ 100000 nM Poor binder T55285 Glycine receptor subunit alpha-1 BS34NT (2E)-2-[(9Z,11S,13S,17S,25Z,27S,33S,35S,36S,38E)-38-(2-Hydroxyethylidene)-14,30-dimethyl-8,24-diaza-14,30-diazoniaundecacyclo[25.5.2.211,14.11,26.110,17.02,7.013,17.018,23.030,33.08,35.024,36]octatriaconta-2,4,6,9,18,20,22,25-octaen-28-ylidene]ethanol;dichloride Investigative 44427885 C40H46Cl2N4O2 685.7 C[N+]12CC[C@@]34[C@@H]1C[C@@H](/C(=C\\CO)/C2)/C/5=C/N6[C@H]7/C(=C\\N([C@@H]53)C8=CC=CC=C48)/[C@H]\\9C[C@H]1C7(CC[N+]1(C/C9=C/CO)C)C1=CC=CC=C16.[Cl-].[Cl-] IC50 ~ 100000 nM Poor binder T55285 Glycine receptor subunit alpha-1 BS5LV9 (1R,2R,3S,6S,8S,10R,11R)-10-Tert-butyl-2,11,16-trihydroxy-3-methyl-5,13,15-trioxapentacyclo[7.5.2.0^{1,8}.0^{2,6}.0^{8,12}]hexadecane-4,14-dione Investigative 44420852 C18H24O8 368.4 C[C@@H]1C(=O)O[C@@H]2[C@]1([C@@]34C(=O)OC5[C@]3(C2)C([C@@H]([C@H]5O)C(C)(C)C)C(O4)O)O IC50 ~ 100000 nM Poor binder T55285 Glycine receptor subunit alpha-2 BS5LV9 (1R,2R,3S,6S,8S,10R,11R)-10-Tert-butyl-2,11,16-trihydroxy-3-methyl-5,13,15-trioxapentacyclo[7.5.2.0^{1,8}.0^{2,6}.0^{8,12}]hexadecane-4,14-dione Investigative 44420852 C18H24O8 368.4 C[C@@H]1C(=O)O[C@@H]2[C@]1([C@@]34C(=O)OC5[C@]3(C2)C([C@@H]([C@H]5O)C(C)(C)C)C(O4)O)O IC50 ~ 100000 nM Poor binder T55285 Glycine receptor subunit alpha-1 BSXN01 (1S,6R,8S,9S,11R,12R,13S,16S,17R)-8-Tert-butyl-9-(ethylamino)-6,12,17-trihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.0^{1,11}.0^{3,7}.0^{7,11}.0^{13,17}]nonadecane-5,15,18-trione Investigative 44420871 C22H29NO10 467.5 CCN[C@H]1[C@H](C23[C@H](C(=O)OC2O[C@]45[C@@]3(C1OC4=O)[C@H]([C@H]6[C@@]5([C@@H](C(=O)O6)C)O)O)O)C(C)(C)C IC50 ~ 100000 nM Poor binder T55285 Glycine receptor subunit alpha-2 BSXN01 (1S,6R,8S,9S,11R,12R,13S,16S,17R)-8-Tert-butyl-9-(ethylamino)-6,12,17-trihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.0^{1,11}.0^{3,7}.0^{7,11}.0^{13,17}]nonadecane-5,15,18-trione Investigative 44420871 C22H29NO10 467.5 CCN[C@H]1[C@H](C23[C@H](C(=O)OC2O[C@]45[C@@]3(C1OC4=O)[C@H]([C@H]6[C@@]5([C@@H](C(=O)O6)C)O)O)O)C(C)(C)C IC50 ~ 100000 nM Poor binder T55285 Glycine receptor subunit alpha-1 BUK9R2 (6R,8S,11S,16R,17S)-8-Tert-butyl-6,16,17-trihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.0^{1,11}.0^{3,7}.0^{7,11}.0^{13,17}]nonadecane-5,15,18-trione Investigative 44420839 C20H24O10 424.4 C[C@@]1(C(=O)OC2[C@]1(C34C(=O)OC5[C@]3(C2)C6([C@@H](C5)C(C)(C)C)[C@H](C(=O)OC6O4)O)O)O IC50 ~ 100000 nM Poor binder T55285 Glycine receptor subunit alpha-2 BUK9R2 (6R,8S,11S,16R,17S)-8-Tert-butyl-6,16,17-trihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.0^{1,11}.0^{3,7}.0^{7,11}.0^{13,17}]nonadecane-5,15,18-trione Investigative 44420839 C20H24O10 424.4 C[C@@]1(C(=O)OC2[C@]1(C34C(=O)OC5[C@]3(C2)C6([C@@H](C5)C(C)(C)C)[C@H](C(=O)OC6O4)O)O)O IC50 ~ 100000 nM Poor binder T55285 Glycine receptor subunit alpha-1 BW2SH0 (2E)-2-[(1S,9Z,11S,13S,14R,17S,25Z,27S,33S,35S,36S,38E)-38-(2-Hydroxyethylidene)-14,30-bis(prop-2-enyl)-8,24-diaza-14,30-diazoniaundecacyclo[25.5.2.211,14.11,26.110,17.02,7.013,17.018,23.030,33.08,35.024,36]octatriaconta-2,4,6,9,18,20,22,25-octaen-28-ylidene]ethanol Investigative 90659973 C44H50N4O2+2 666.9 C=CC[N@@+]12CC[C@@]34[C@@H]1C[C@@H](/C(=C\\CO)/C2)/C/5=C/N6[C@H]7/C(=C\\N([C@@H]53)C8=CC=CC=C48)/[C@H]\\9C[C@H]1[C@@]7(CC[N+]1(C/C9=C/CO)CC=C)C1=CC=CC=C16 IC50 ~ 100000 nM Poor binder T55285 Glycine receptor subunit alpha-1 BW9LK2 (1S,9R,18R,19S,21R,22R,23R,25R,32S,34R,35R,36S)-15,31-Bis[(E)-but-2-enyl]-24-phenyl-10,26-dioxa-8,24-diaza-15,31-diazoniaundecacyclo[29.5.2.01,32.02,7.08,36.09,22.013,21.015,19.018,23.025,35.029,34]octatriaconta-2,4,6,12,28-pentaene;dibromide Investigative 44427860 C46H56Br2N4O2 856.8 C/C=C/C[N+]12CC[C@H]3[C@@H]1C[C@@H]4[C@@H]5[C@@H]3N([C@H]6[C@@H]7[C@H]8C[C@H]9[C@@]1([C@H]7N([C@@H]5OCC=C4C2)C2=CC=CC=C21)CC[N+]9(CC8=CCO6)C/C=C/C)C1=CC=CC=C1.[Br-].[Br-] IC50 ~ 100000 nM Poor binder T55285 Glycine receptor subunit alpha-1 BXIS94 (1R,6R,8S,11R)-8-Tert-butyl-13-methoxy-5,15,16-trioxo-2,4,14,17-tetraoxapentacyclo[8.5.2.0^{1,11}.0^{3,7}.0^{7,11}]heptadecan-6-yl acetate Investigative 44420856 C20H24O10 424.4 CC(=O)O[C@H]1C(=O)OC2C13[C@@H](CC4[C@@]35CC(OC(=O)[C@]5(O2)C(=O)O4)OC)C(C)(C)C IC50 ~ 100000 nM Poor binder T55285 Glycine receptor subunit alpha-2 BXIS94 (1R,6R,8S,11R)-8-Tert-butyl-13-methoxy-5,15,16-trioxo-2,4,14,17-tetraoxapentacyclo[8.5.2.0^{1,11}.0^{3,7}.0^{7,11}]heptadecan-6-yl acetate Investigative 44420856 C20H24O10 424.4 CC(=O)O[C@H]1C(=O)OC2C13[C@@H](CC4[C@@]35CC(OC(=O)[C@]5(O2)C(=O)O4)OC)C(C)(C)C IC50 ~ 100000 nM Poor binder T55285 Glycine receptor subunit alpha-1 BZ1GQ7 (2E)-2-[(1S,9Z,11S,13S,17R,18R,20R,27S,29R,30R,31S)-14,26-Dimethyl-19-phenyl-21-oxa-8,19-diaza-14,26-diazoniadecacyclo[24.5.2.211,14.01,27.02,7.08,31.010,18.013,17.020,30.024,29]pentatriaconta-2,4,6,9,23-pentaen-35-ylidene]ethanol;diiodide Investigative 44427877 C40H48I2N4O2 870.6 C[N+]12CC[C@H]3[C@@H]1C[C@@H](/C(=C\\CO)/C2)/C/4=C/N5[C@H]6[C@H]7[C@H]8C[C@H]9[C@@]6(CC[N+]9(CC8=CCO[C@H]7N([C@H]34)C1=CC=CC=C1)C)C1=CC=CC=C15.[I-].[I-] IC50 ~ 100000 nM Poor binder T55285 Glycine receptor subunit alpha-1 BZL54E (2E)-2-[(1S,9Z,11S,13S,18R,20R,27S,29R,30R,31S)-14,26-Bis[(4-nitrophenyl)methyl]-19-phenyl-21-oxa-8,19-diaza-14,26-diazoniadecacyclo[24.5.2.211,14.01,27.02,7.08,31.010,18.013,17.020,30.024,29]pentatriaconta-2,4,6,9,23-pentaen-35-ylidene]ethanol;dibromide Investigative 44427883 C52H54Br2N6O6 1018.8 C1C[N+]2(C/C(=C/CO)/[C@@H]\\3C[C@H]2C1[C@@H]4/C3=C\\N5[C@H]6[C@H]7[C@H]8C[C@H]9[C@@]6(CC[N+]9(CC8=CCO[C@H]7N4C1=CC=CC=C1)CC1=CC=C(C=C1)[N+](=O)[O-])C1=CC=CC=C15)CC1=CC=C(C=C1)[N+](=O)[O-].[Br-].[Br-] IC50 ~ 100000 nM Poor binder