TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T72038 Galectin-3 B51WNS (2S,3R,4S,5R,6R)-2-((2R,3S,4R,5R,6S)-6-(6-((2R,3S,4S,5R,6S)-3,4-Dihydroxy-6-(hydroxymethyl)-5-((2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)-tetrahydro-2H-pyran-2-yloxy)-tetrahydro-2H-pyran-2-ylthio)hexa-2,4-diynylthio)-4,5-dihydroxy-2-(hydroxymethyl)-tetrahydro-2H-pyran-3-yloxy)-6-(hydroxymethyl)-tetrahydro-2H-pyran-3,4,5-triol Investigative 44586986 C30H46O20S2 790.8 C(C#CC#CCS[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)CO)O[C@@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)CO)O)O)O)O)O)S[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O IC50 = 160000 nM Poor binder T72038 Galectin-3 B5EFI4 (2S,3R,4S,5R,6R)-2-((2R,3S,4R,5R,6S)-6-((1-((2S,3S,4S,5R,6S)-3,4-Dihydroxy-6-(hydroxymethyl)-5-((2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)-tetrahydro-2H-pyran-2-yloxy)-tetrahydro-2H-pyran-2-yl)-1H-1,2,3-triazol-4-yl)methylthio)-4,5-dihydroxy-2-(hydroxymethyl)-tetrahydro-2H-pyran-3-yloxy)-6-(hydroxymethyl)-tetrahydro-2H-pyran-3,4,5-triol Investigative 44587043 C27H45N3O20S 763.7 C1=C(N=NN1[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)CO)O[C@@H]3[C@H]([C@@H]([C@@H]([C@@H](O3)CO)O)O)O)O)O)CS[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)O)O IC50 = 160000 nM Poor binder T72038 Galectin-3 BB6FE4 (2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6R)-6-[6-[(2S,3S,4S,5R,6S)-3,4-Dihydroxy-6-(hydroxymethyl)-5-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyhexoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol Investigative 73348361 C30H54O22 766.7 C(CCCO[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)CO)O[C@@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)CO)O)O)O)O)O)CCO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O IC50 = 163000 nM Poor binder T72038 Galectin-3 BW35JM Chembl4211695 Investigative 145967416 C22H28N6O8S 536.6 CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N3C=C(N=N3)CO[C@H]4[C@H]([C@H](O[C@H]([C@@H]4O)OC)CO)O)C EC50 = 67700 nM Poor binder