TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T04507 Presynaptic density protein 95 B1ZCM4 (2S)-2-[[(2S)-2-[4-[(1R,2R)-1-Amino-2-hydroxypropyl]triazol-1-yl]propanoyl]amino]-3-methylbutanoic acid Investigative 127047672 C13H23N5O4 313.35 C[C@H]([C@@H](C1=CN(N=N1)[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)O)N)O Ki = 289000 nM Non binder T04507 Presynaptic density protein 95 B3N9JF Ser-Ala-Val Investigative 127045734 C11H21N3O5 275.3 C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@H](CO)N Ki = 229000 nM Non binder T04507 Presynaptic density protein 95 B4K1NX (S)-4-Amino-5-((S)-1-((S)-3-carboxy-1-((S)-1-carboxypropylamino)-1-oxopropan-2-ylamino)-3-hydroxy-1-oxopropan-2-ylamino)-5-oxopentanoic acid Investigative 44568993 C16H26N4O10 434.4 CC[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)N Ki = 230000 nM Non binder T04507 Presynaptic density protein 95 BA7H4C 1-(3-Carboxypropyl)-3-methyl-5-phenylmethoxyindole-2,6-dicarboxylic acid Investigative 127046286 C22H21NO7 411.4 CC1=C(N(C2=CC(=C(C=C12)OCC3=CC=CC=C3)C(=O)O)CCCC(=O)O)C(=O)O Ki > 500000 nM Non binder T04507 Presynaptic density protein 95 BB37ZF (2S)-2-[[(2S)-3-Carboxy-2-[[(2S,3R)-2-[[(2S)-2-(2-cyclohexylethylamino)propanoyl]amino]-3-hydroxybutanoyl]amino]propanoyl]amino]-3-methylbutanoic acid Investigative 51349985 C24H42N4O8 514.6 C[C@H]([C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@H](C)NCCC1CCCCC1)O Ki > 400000 nM Non binder T04507 Presynaptic density protein 95 BCLB32 5-Hydroxy-3-methyl-1H-indole-2,6-dicarboxylic acid Investigative 127047671 C11H9NO5 235.19 CC1=C(NC2=CC(=C(C=C12)O)C(=O)O)C(=O)O Ki = 530000 nM Non binder T04507 Presynaptic density protein 95 BDC05U (4S)-5-[[(2S,3R)-1-[[(2S)-1-[[(1S)-1-Carboxy-2-methylpropyl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-sulfanylidenebutan-2-yl]amino]-4-(methylamino)-5-oxopentanoic acid Investigative 51350671 C18H32N4O7S 448.5 C[C@H]([C@@H](C(=S)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC)O Ki = 220000 nM Non binder T04507 Presynaptic density protein 95 BG7M3L (4S)-5-[[(2S,3R)-1-[[(2S)-3-Carboxy-1-[[(1S)-1-carboxy-2-methylpropyl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-(2-naphthalen-2-ylethylamino)-5-oxopentanoic acid Investigative 51349986 C30H40N4O10 616.7 C[C@H]([C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@H](CCC(=O)O)NCCC1=CC2=CC=CC=C2C=C1)O Ki = 210000 nM Non binder T04507 Presynaptic density protein 95 BJFM67 (4S)-4-Amino-5-[[(2S,3R)-1-[[(2S)-1-[[(1S)-1-carboxy-2-methylpropyl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-5-oxopentanoic acid Investigative 53324286 C17H30N4O8 418.4 C[C@H]([C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@H](CCC(=O)O)N)O Ki = 260000 nM Non binder T04507 Presynaptic density protein 95 BM91ON (2S)-2-[[1-[(1S)-1-Carboxy-2-methylpropyl]triazole-4-carbonyl]amino]-3-methylbutanoic acid Investigative 127047627 C13H20N4O5 312.32 CC(C)[C@@H](C(=O)O)NC(=O)C1=CN(N=N1)[C@@H](C(C)C)C(=O)O Ki > 500000 nM Non binder T04507 Presynaptic density protein 95 BRCO24 (2S)-2-[4-[(1S)-1-[[(2S,3R)-2-Amino-3-hydroxybutanoyl]amino]ethyl]triazol-1-yl]-3-methylbutanoic acid Investigative 127047673 C13H23N5O4 313.35 C[C@@H](C1=CN(N=N1)[C@@H](C(C)C)C(=O)O)NC(=O)[C@H]([C@@H](C)O)N Ki > 500000 nM Non binder