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 B0RP8U (2S)-2-[[(2S)-3-Carboxy-2-[[(2S,3R)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-3-hydroxybutanoyl]amino]propanoyl]amino]-3-methylbutanoic acid Investigative 51349724 C18H31N5O9 461.5 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)N)N)O Ki = 60000 nM Poor binder T04507 Presynaptic density protein 95 B1IU6O (S)-4-Amino-5-((S)-1-((S)-5-amino-1-((S)-1-carboxy-2-methylpropylamino)-1,5-dioxopentan-2-ylamino)-3-hydroxy-1-oxopropan-2-ylamino)-5-oxopentanoic acid Investigative 44568998 C18H31N5O9 461.5 CC(C)[C@@H](C(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)N Ki = 57000 nM Poor binder T04507 Presynaptic density protein 95 B2I3ML (2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2,5-Diamino-5-oxopentanoyl]amino]-3-hydroxybutanoyl]amino]propanoyl]amino]-3-methylbutanoic acid Investigative 51349723 C17H31N5O7 417.5 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)N)N)O Ki = 110000 nM Poor binder T04507 Presynaptic density protein 95 B3KM2O (4S)-4-(Benzylamino)-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 25133945 C24H36N4O8 508.6 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)NCC1=CC=CC=C1)O Ki = 63000 nM Poor binder T04507 Presynaptic density protein 95 B40VTX (4S)-4-(3-Anthracen-9-ylpropylamino)-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 51350401 C34H44N4O8 636.7 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)NCCCC1=C2C=CC=CC2=CC3=CC=CC=C31)O Ki = 95000 nM Poor binder T04507 Presynaptic density protein 95 B4ET0G (2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-5-Amino-2-(2-cyclohexylethylamino)-5-oxopentanoyl]amino]-3-hydroxybutanoyl]amino]propanoyl]amino]-3-methylbutanoic acid Investigative 51349855 C25H45N5O7 527.7 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)N)NCCC1CCCCC1)O Ki = 141000 nM Poor binder T04507 Presynaptic density protein 95 B4KC6F (S)-4-Amino-5-((S)-1-((S)-4-amino-1-((S)-1-carboxy-2-methylpropylamino)-1,4-dioxobutan-2-ylamino)-3-hydroxy-1-oxopropan-2-ylamino)-5-oxopentanoic acid Investigative 44569003 C17H29N5O9 447.4 CC(C)[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)N Ki = 67000 nM Poor binder T04507 Presynaptic density protein 95 B57QDM (4S)-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-oxo-4-(2-pyren-1-ylethylamino)pentanoic acid Investigative 51350402 C35H42N4O8 646.7 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)NCCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)O Ki = 51000 nM Poor binder T04507 Presynaptic density protein 95 B5V9WB (4S)-5-[[(2S,3R)-1-[[(2S)-1-[[(1S)-1-Carboxy-2-methylpropyl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-(3-naphthalen-2-ylpropylamino)-5-oxopentanoic acid Investigative 51350268 C30H42N4O8 586.7 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)NCCCC1=CC2=CC=CC=C2C=C1)O Ki = 53000 nM Poor binder T04507 Presynaptic density protein 95 B6NW3G Thr-Ala-Val Investigative 127046244 C12H23N3O5 289.33 C[C@H]([C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)O)N)O Ki = 74000 nM Poor binder T04507 Presynaptic density protein 95 B7G2FU (2S)-2-[[(2S)-2-[[(2S,3R)-3-Hydroxy-2-[[(2S)-2-(2-naphthalen-2-ylethylamino)propanoyl]amino]butanoyl]amino]propanoyl]amino]-3-methylbutanoic acid Investigative 51349988 C27H38N4O6 514.6 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](C)NCCC1=CC2=CC=CC=C2C=C1)O Ki = 56000 nM Poor binder T04507 Presynaptic density protein 95 B8D6QH (4S)-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-oxo-4-(4-pyren-1-ylbutylamino)pentanoic acid Investigative 51350403 C37H46N4O8 674.8 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)NCCCCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)O Ki = 76000 nM Poor binder T04507 Presynaptic density protein 95 BC4YX6 (S)-4-Amino-5-((S)-1-((S)-3-carboxy-1-((S)-1-carboxy-2,2-dimethylpropylamino)-1-oxopropan-2-ylamino)-3-hydroxy-1-oxopropan-2-ylamino)-5-oxopentanoic acid Investigative 44568997 C18H30N4O10 462.5 CC(C)(C)[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 = 76000 nM Poor binder T04507 Presynaptic density protein 95 BE42XR (2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-(2-Cyclohexylethylamino)propanoyl]amino]-3-hydroxybutanoyl]amino]propanoyl]amino]-3-methylbutanoic acid Investigative 51349857 C23H42N4O6 470.6 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](C)NCCC1CCCCC1)O Ki = 89000 nM Poor binder T04507 Presynaptic density protein 95 BH4ZW7 (4S)-5-[[(2S,3R)-1-[[(2S)-1-[[(1S)-1-Carboxy-2-methylpropyl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-(ethylamino)-5-oxopentanoic acid Investigative 25133601 C19H34N4O8 446.5 CCN[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)O Ki = 69000 nM Poor binder T04507 Presynaptic density protein 95 BJD31T (S)-2-{(S)-2-[(S)-2-((S)-2-Amino-4-carboxy-butyrylamino)-3-hydroxy-propionylamino]-4-carboxy-butyrylamino}-3-methyl-butyric acid Investigative 25062887 C18H30N4O10 462.5 CC(C)[C@@H](C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)N Ki = 67000 nM Poor binder T04507 Presynaptic density protein 95 BK0U9E (S)-2-{(S)-2-[(S)-2-((S)-2-Amino-4-carbamoyl-butyrylamino)-3-hydroxy-propionylamino]-3-carboxy-propionylamino}-3-methyl-butyric acid Investigative 44568787 C17H29N5O9 447.4 CC(C)[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)N)N Ki = 100000 nM Poor binder T04507 Presynaptic density protein 95 BNJ40C (4S)-5-[[(2S,3R)-1-[[(2S)-1-[[(1S)-1-Carboxy-2-methylpropyl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-(methylamino)-5-oxopentanoic acid Investigative 25133600 C18H32N4O8 432.5 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)NC)O Ki = 78000 nM Poor binder T04507 Presynaptic density protein 95 BOM98Q (2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-Aminopropanoyl]amino]-3-hydroxybutanoyl]amino]propanoyl]amino]-3-methylbutanoic acid Investigative 51349725 C15H28N4O6 360.41 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](C)N)O Ki = 73000 nM Poor binder T04507 Presynaptic density protein 95 BUQ92F (4S)-4-Amino-5-[[(2S)-1-[[(2S)-3-carboxy-1-[[(1S)-1-carboxy-2-methylpropyl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Investigative 25062886 C17H28N4O10 448.4 CC(C)[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 = 56000 nM Poor binder T04507 Presynaptic density protein 95 BV31WA (S)-4-Amino-5-((S)-1-(((S)-3-carboxy-1-((S)-1-carboxy-2-methylpropylamino)-1-oxopropan-2-yl)(methyl)amino)-3-hydroxy-1-oxopropan-2-ylamino)-5-oxopentanoic acid Investigative 44568990 C18H30N4O10 462.5 CC(C)[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)O)N(C)C(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)N Ki = 78000 nM Poor binder T04507 Presynaptic density protein 95 BYRW64 (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-(3,4-dichlorophenyl)ethylamino]-5-oxopentanoic acid Investigative 51349987 C26H36Cl2N4O10 635.5 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=CC(=C(C=C1)Cl)Cl)O Ki = 130000 nM Poor binder T04507 Presynaptic density protein 95 BZ4TC2 (2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[2-(3,4-Dichlorophenyl)ethylamino]propanoyl]amino]-3-hydroxybutanoyl]amino]propanoyl]amino]-3-methylbutanoic acid Investigative 51349989 C23H34Cl2N4O6 533.4 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](C)NCCC1=CC(=C(C=C1)Cl)Cl)O Ki = 64000 nM Poor binder