TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T47081 Rotamase A B38WXT (2R)-N-[2-(Benzylcarbamoyl)cyclopentyl]-1-[2-[[(2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-(3-methylbutanoylamino)propanoyl]amino]propanoyl]amino]acetyl]pyrrolidine-2-carboxamide Investigative 44366405 C34H48N8O6 664.8 C[C@@H](C(=O)NCC(=O)N1CCC[C@@H]1C(=O)NC2CCCC2C(=O)NCC3=CC=CC=C3)NC(=O)[C@H](CC4=CN=CN4)NC(=O)CC(C)C IC50 = 90000 nM Poor binder T47081 Rotamase A B3QB9T (2R)-N-[(2S,3S)-1-[[(2S)-1-Amino-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-1-[2-[[(2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-(3-methylbutanoylamino)propanoyl]amino]propanoyl]amino]acetyl]pyrrolidine-2-carboxamide Investigative 44366209 C30H49N9O7 647.8 CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)N)NC(=O)[C@H]1CCCN1C(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC2=CN=CN2)NC(=O)CC(C)C IC50 = 165000 nM Poor binder T47081 Rotamase A BIW91B Ac-Val-His-Ala-Gly-Pro-Ile-NH-CH2-Ph Investigative 5493635 C36H53N9O7 723.9 CC[C@H](C)[C@@H](C(=O)NCC1=CC=CC=C1)NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC3=CN=CN3)NC(=O)[C@H](C(C)C)NC(=O)C IC50 = 115000 nM Poor binder T47081 Rotamase A BN8FW1 (2S)-N-[1-(Benzylcarbamoyl)cyclopentyl]-1-[2-[[(2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-(3-methylbutanoylamino)propanoyl]amino]propanoyl]amino]acetyl]pyrrolidine-2-carboxamide Investigative 497076 C34H48N8O6 664.8 C[C@@H](C(=O)NCC(=O)N1CCC[C@H]1C(=O)NC2(CCCC2)C(=O)NCC3=CC=CC=C3)NC(=O)[C@H](CC4=CN=CN4)NC(=O)CC(C)C IC50 = 90000 nM Poor binder T47081 Rotamase A BO8F2R (2R)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Acetamido-3-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoyl]amino]acetyl]-N-[(2S,3S)-1-(benzylamino)-3-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide Investigative 44366453 C36H53N9O7 723.9 CC[C@H](C)[C@@H](C(=O)NCC1=CC=CC=C1)NC(=O)[C@H]2CCCN2C(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC3=CN=CN3)NC(=O)[C@H](C(C)C)NC(=O)C IC50 = 115000 nM Poor binder T47081 Rotamase A BP7DA6 (2S)-N-[(2S,3S)-1-[[(2R)-1-Amino-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-1-[2-[[(2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-(3-methylbutanoylamino)propanoyl]amino]propanoyl]amino]acetyl]pyrrolidine-2-carboxamide Investigative 56678334 C30H49N9O7 647.8 CC[C@H](C)[C@@H](C(=O)N[C@H](C)C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC2=CN=CN2)NC(=O)CC(C)C IC50 = 165000 nM Poor binder