TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T51115 Voltage-gated calcium channel alpha Cav1.2 D03FLC Lamotrigine Approved 3878 C9H7Cl2N5 256.089 C1=CC(=C(C(=C1)Cl)Cl)C2=C(N=C(N=N2)N)N IC50 = 1258925.41 nM Non binder T51115 Voltage-gated calcium channel alpha Cav1.2 D03IGH Darunavir Approved 213039 C27H37N3O7S 547.7 CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)C4=CC=C(C=C4)N IC50 = 1584893.19 nM Non binder T51115 Voltage-gated calcium channel alpha Cav1.2 D04FVU Palonosetron Approved 6337614 C19H24N2O 296.4 C1C[C@@H]2CN(C(=O)C3=CC=CC(=C23)C1)[C@@H]4CN5CCC4CC5 IC50 = 398107.17 nM Non binder T51115 Voltage-gated calcium channel alpha Cav1.2 D04VMT Sotalol Approved 5253 C12H20N2O3S 272.37 CC(C)NCC(C1=CC=C(C=C1)NS(=O)(=O)C)O IC50 = 1023000 nM Non binder T51115 Voltage-gated calcium channel alpha Cav1.2 D05MQK Tadalafil Approved 110635 C22H19N3O4 389.4 CN1CC(=O)N2[C@@H](C1=O)CC3=C([C@H]2C4=CC5=C(C=C4)OCO5)NC6=CC=CC=C36 IC50 = 398107.17 nM Non binder T51115 Voltage-gated calcium channel alpha Cav1.2 D08CDI Lapatinib Approved 208908 C29H26ClFN4O4S 581.1 CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl IC50 = 1995262.31 nM Non binder T51115 Voltage-gated calcium channel alpha Cav1.2 D0B3UJ Paliperidone Approved 115237 C23H27FN4O3 426.5 CC1=C(C(=O)N2CCCC(C2=N1)O)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F IC50 = 398107.17 nM Non binder T51115 Voltage-gated calcium channel alpha Cav1.2 D0C9SY Vardenafil Approved 135400189 C23H32N6O4S 488.6 . IC50 = 251188.64 nM Non binder T51115 Voltage-gated calcium channel alpha Cav1.2 D0D8VE Halothane Approved 3562 C2HBrClF3 197.38 C(C(F)(F)F)(Cl)Br IC50 = 1800000 nM Non binder T51115 Voltage-gated calcium channel alpha Cav1.2 D0E6XR Dasatinib Approved 3062316 C22H26ClN7O2S 488 CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO IC50 = 251188.64 nM Non binder T51115 Voltage-gated calcium channel alpha Cav1.2 D0Q5UQ Exjade Approved 214348 C21H15N3O4 373.4 . IC50 = 1000000 nM Non binder T51115 Voltage-gated calcium channel alpha Cav1.2 D0U0VU SILODOSIN Approved 5312125 C25H32F3N3O4 495.5 C[C@H](CC1=CC2=C(C(=C1)C(=O)N)N(CC2)CCCO)NCCOC3=CC=CC=C3OCC(F)(F)F IC50 = 794328.23 nM Non binder T51115 Voltage-gated calcium channel alpha Cav1.2 D0U2JP Sitagliptin Approved 4369359 C16H15F6N5O 407.31 C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)C[C@@H](CC3=CC(=C(C=C3F)F)F)N IC50 = 100000000 nM Non binder T51115 Voltage-gated calcium channel alpha Cav1.2 D0X5ZI Ambrisentan Approved 6918493 C22H22N2O4 378.4 CC1=CC(=NC(=N1)O[C@H](C(=O)O)C(C2=CC=CC=C2)(C3=CC=CC=C3)OC)C IC50 = 2511886.43 nM Non binder T51115 Voltage-gated calcium channel alpha Cav1.2 D0Y5AM Darifenacin Approved 444031 C28H30N2O2 426.5 C1CN(C[C@@H]1C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N)CCC4=CC5=C(C=C4)OCC5 IC50 = 1584893.19 nM Non binder T51115 Voltage-gated calcium channel alpha Cav1.2 BMWG84 6H-Pyrimido[5,4-b][1,4]oxazin-7(8H)-one, 2-[[[trans-4-[(1R)-1-amino-2-(7-fluoro-2-oxo-1(2H)-quinoxalinyl)ethyl]cyclohexyl]amino]methyl]- Investigative 46206000 C23H26FN7O3 467.5 C1CC(CCC1[C@H](CN2C3=C(C=CC(=C3)F)N=CC2=O)N)NCC4=NC=C5C(=N4)NC(=O)CO5 IC50 > 333000 nM Non binder T51115 Voltage-gated calcium channel alpha Cav1.2 BVJH09 1-[(2S)-2-Amino-2-[(1r,4S)-4-[({3-oxo-2H,3H,4H-pyrido[3,2-b][1,4]oxazin-6-yl}methyl)amino]cyclohexyl]ethyl]-7-methoxy-1,2-dihydro-1,5-naphthyridin-2-one Investigative 46205341 C25H30N6O4 478.5 COC1=CC2=C(C=CC(=O)N2C[C@@H](C3CCC(CC3)NCC4=NC5=C(C=C4)OCC(=O)N5)N)N=C1 IC50 > 333000 nM Non binder T51115 Voltage-gated calcium channel alpha Cav1.2 D0R6MT isobutylmethylxanthine Investigative 3758 C10H14N4O2 222.24 CC(C)CN1C2=C(C(=O)N(C1=O)C)NC=N2 IC50 = 466000 nM Non binder