TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T53378 Carbonic anhydrase IV D02PJA Hydriodic acid iodine-125 Approved 24841 HI 127.912 I Ki = 80000 nM Poor binder T53378 Carbonic anhydrase IV D02URS Potassium iodide Approved 4875 IK 166.003 [K+].[I-] Ki = 80000 nM Poor binder T53378 Carbonic anhydrase IV D07CWD Hydroxyurea Approved 3657 CH4N2O2 76.055 C(=O)(N)NO Ki = 113000 nM Poor binder T53378 Carbonic anhydrase IV D0E9JM Potassium Chloride Approved 4873 ClK 74.55 [Cl-].[K+] Ki = 90000 nM Poor binder T53378 Carbonic anhydrase IV D0SC6I Sodium benzoate Phase 2/3 517055 C7H5NaO2 144.1 C1=CC=C(C=C1)C(=O)[O-].[Na+] Ki = 74700 nM Poor binder T53378 Carbonic anhydrase IV D0X2AU Selenium compound 1 Patented 23427 C6H6O2Se 189.08 C1=CC=C(C=C1)[Se](=O)O Ki ~ 100000 nM Poor binder T53378 Carbonic anhydrase IV B1JOZ8 Bis(2-nitrophenyl) diselenide Investigative 101424 C12H8N2O4Se2 402.1 C1=CC=C(C(=C1)[N+](=O)[O-])[Se][Se]C2=CC=CC=C2[N+](=O)[O-] Ki ~ 100000 nM Poor binder T53378 Carbonic anhydrase IV B36YTS 3-(4-Methoxyphenyl)-4-tosyl-3,4-dihydro-2H-1,4-benzoselenazine Investigative 101564149 C22H21NO3SSe 458.4 CC1=CC=C(C=C1)S(=O)(=O)N2C(C[Se]C3=CC=CC=C32)C4=CC=C(C=C4)OC Ki ~ 100000 nM Poor binder T53378 Carbonic anhydrase IV B4NO8M 3-(4-Methoxyphenyl)-4-tosyl-6-chloro-3,4-dihydro-2H-1,4-benzoselenazine Investigative 132547793 C22H20ClNO3SSe 492.9 CC1=CC=C(C=C1)S(=O)(=O)N2C(C[Se]C3=C2C=C(C=C3)Cl)C4=CC=C(C=C4)OC Ki ~ 100000 nM Poor binder T53378 Carbonic anhydrase IV B6K2SQ 5-[1-Hydroxy-2-[[2-hydroxy-2-(3-hydroxy-4-methoxyphenyl)ethyl]diselanyl]ethyl]-2-methoxyphenol Investigative 137642864 C18H22O6Se2 492.3 COC1=C(C=C(C=C1)C(C[Se][Se]CC(C2=CC(=C(C=C2)OC)O)O)O)O Ki ~ 100000 nM Poor binder T53378 Carbonic anhydrase IV B72KYJ Hydrofluoric acid Investigative 14917 FH 20.006 F Ki = 70000 nM Poor binder T53378 Carbonic anhydrase IV B8D2BK N-[(S)-1-[(Phenylseleno)methyl]-3-methylbutyl]-p-toluenesulfonamide Investigative 102311866 C19H25NO2SSe 410.4 CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC(C)C)C[Se]C2=CC=CC=C2 Ki ~ 100000 nM Poor binder T53378 Carbonic anhydrase IV B8TDZ9 Spermine(hbbh) Investigative 389642 C20H42N4O4 402.6 CC(C)(C)OC(=O)N(CCCCN(CCCN)C(=O)OC(C)(C)C)CCCN Ki = 103000 nM Poor binder T53378 Carbonic anhydrase IV B9Z6GL Sulfamic acid Investigative 5987 H3NO3S 97.1 NS(=O)(=O)O Ki = 90000 nM Poor binder T53378 Carbonic anhydrase IV BAB06K 1,1'-Selanediyldi(3-benzyloxypropan-2-ol) Investigative 122386532 C20H26O4Se 409.4 C1=CC=C(C=C1)COCC(C[Se]CC(COCC2=CC=CC=C2)O)O Ki ~ 100000 nM Poor binder T53378 Carbonic anhydrase IV BC6XN1 Hydrogen bromide Investigative 260 BrH 80.91 Br Ki = 90000 nM Poor binder T53378 Carbonic anhydrase IV BF48BA 3-(4-Methoxyphenyl)-4-(2-nitrophenylsulfonyl)-6-chloro-3,4-dihydro-2H-1,4-benzoselenazine Investigative 132547798 C21H17ClN2O5SSe 523.9 COC1=CC=C(C=C1)C2C[Se]C3=C(N2S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-])C=C(C=C3)Cl Ki ~ 100000 nM Poor binder T53378 Carbonic anhydrase IV BFNJ79 2-Hydroxycinnamic acid Investigative 637540 C9H8O3 164.16 C1=CC=C(C(=C1)/C=C/C(=O)O)O Ki = 62300 nM Poor binder T53378 Carbonic anhydrase IV BG9IX6 1-Bromo-3,5-bis[(2,3-dibromo-4,5-dimethoxyphenyl)methyl]-2,4,6-trimethoxybenzene Investigative 66573254 C27H27Br5O7 863 COC1=C(C(=C(C(=C1)CC2=C(C(=C(C(=C2OC)Br)OC)CC3=CC(=C(C(=C3Br)Br)OC)OC)OC)Br)Br)OC Ki = 57610 nM Poor binder T53378 Carbonic anhydrase IV BHGC36 4-Methyl-N-[(2S)-3-methyl-1-[(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butyl]selanylbutan-2-yl]benzenesulfonamide Investigative 137643671 C24H36N2O4S2Se 559.7 CC1=CC=C(C=C1)S(=O)(=O)N[C@H](C[Se]C[C@H](C(C)C)NS(=O)(=O)C2=CC=C(C=C2)C)C(C)C Ki ~ 100000 nM Poor binder T53378 Carbonic anhydrase IV BHIG92 2-[(2-Amino-4-methylphenyl)diselanyl]-5-methylaniline Investigative 137634525 C14H16N2Se2 370.2 CC1=CC(=C(C=C1)[Se][Se]C2=C(C=C(C=C2)C)N)N Ki ~ 100000 nM Poor binder T53378 Carbonic anhydrase IV BMG38O Potassium fluoride Investigative 522689 FK 58.097 [F-].[K+] Ki = 70000 nM Poor binder T53378 Carbonic anhydrase IV BMU5R0 1-{2-Fluoro-4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}-3-{[(1R,2S,6S,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.0^{2,6}]dodecan-6-yl]methyl}thiourea Investigative 44430524 C21H27FN6O9S4 654.7 CC1(O[C@@H]2CO[C@@]3([C@H]([C@@H]2O1)OC(O3)(C)C)CNC(=S)NC4=C(C=C(C=C4)S(=O)(=O)NC5=NN=C(S5)S(=O)(=O)N)F)C Ki = 89300 nM Poor binder T53378 Carbonic anhydrase IV BN35LF 4-Methyl-N-[5-methyl-2-[[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]diselanyl]phenyl]benzenesulfonamide Investigative 137639833 C28H28N2O4S2Se2 678.6 CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C)[Se][Se]C3=C(C=C(C=C3)C)NS(=O)(=O)C4=CC=C(C=C4)C Ki = 78900 nM Poor binder T53378 Carbonic anhydrase IV BNK20S (3,4-Diacetyloxy-2,5,6-tribromophenyl)methyl acetate Investigative 57397836 C13H11Br3O6 502.93 CC(=O)OCC1=C(C(=C(C(=C1Br)Br)OC(=O)C)OC(=O)C)Br Ki = 102400 nM Poor binder T53378 Carbonic anhydrase IV BNKI43 2,3,6-Tribromo-4,5-dimethoxybenzyl alcohol Investigative 57397664 C9H9Br3O3 404.88 COC1=C(C(=C(C(=C1Br)CO)Br)Br)OC Ki = 104410 nM Poor binder T53378 Carbonic anhydrase IV BP8KU1 Bis[2-hydroxy-3-(benzyloxy)propyl] perselenide Investigative 102480165 C20H26O4Se2 488.4 C1=CC=C(C=C1)COCC(C[Se][Se]CC(COCC2=CC=CC=C2)O)O Ki ~ 100000 nM Poor binder T53378 Carbonic anhydrase IV BQ9BT2 Sodium malate Investigative 8736 C4H4Na2O5 178.05 C(C(C(=O)[O-])O)C(=O)[O-].[Na+].[Na+] Ki = 53700 nM Poor binder T53378 Carbonic anhydrase IV BR12TI Potassium bromide Investigative 253877 BrK 119 [K+].[Br-] Ki = 90000 nM Poor binder T53378 Carbonic anhydrase IV BS0KE1 2-(4-Hydroxyphenyl)benzo[b]selenophene-5,7-diol Investigative 122226189 C14H10O3Se 305.2 C1=CC(=CC=C1C2=CC3=CC(=CC(=C3[Se]2)O)O)O Ki = 56800 nM Poor binder T53378 Carbonic anhydrase IV BS58HU N1,N3-Bis(2-(2,2,2-trifluoroacetamido)ethyl)-propane-1,3-diaminium trifluoroacetate Investigative 46899573 C11H18F6N4O2 352.28 C(CNCCNC(=O)C(F)(F)F)CNCCNC(=O)C(F)(F)F Ki = 108000 nM Poor binder T53378 Carbonic anhydrase IV BTFJ40 9-(4-Methylphenyl)sulfonyl-2,3,3a,9a-tetrahydrofuro[3,2-b][1,4]benzoselenazine Investigative 137661006 C17H17NO3SSe 394.4 CC1=CC=C(C=C1)S(=O)(=O)N2C3C(CCO3)[Se]C4=CC=CC=C42 Ki ~ 100000 nM Poor binder T53378 Carbonic anhydrase IV BUZ9G2 1,2,5-Tribromo-3,4-dimethoxybenzene Investigative 57399336 C8H7Br3O2 374.85 COC1=C(C(=C(C=C1Br)Br)Br)OC Ki = 163360 nM Poor binder T53378 Carbonic anhydrase IV BV0I2K N1,N12-Bis(trifluoroacetyl)-N4,N8-bis(t-butoxycarbonyl)spermine Investigative 389641 C24H40F6N4O6 594.6 CC(C)(C)OC(=O)N(CCCCN(CCCNC(=O)C(F)(F)F)C(=O)OC(C)(C)C)CCCNC(=O)C(F)(F)F Ki = 104000 nM Poor binder T53378 Carbonic anhydrase IV BX3M4O 2-(4-Hydroxyphenyl)-4,6-dichlorobenzo[b]selenophene-5,7-diol Investigative 122226187 C14H8Cl2O3Se 374.1 C1=CC(=CC=C1C2=CC3=C(C(=C(C(=C3[Se]2)O)Cl)O)Cl)O Ki = 52400 nM Poor binder T53378 Carbonic anhydrase IV BXK3N0 1-(Phenylseleno)-3-(benzyloxy)-2-propanol Investigative 11034581 C16H18O2Se 321.3 C1=CC=C(C=C1)COCC(C[Se]C2=CC=CC=C2)O Ki ~ 100000 nM Poor binder T53378 Carbonic anhydrase IV BYC75Q 4-[(3,4-Dimethoxyphenyl)methyl]-1,2-dimethoxybenzene Investigative 284045 C17H20O4 288.34 COC1=C(C=C(C=C1)CC2=CC(=C(C=C2)OC)OC)OC Ki = 145120 nM Poor binder T53378 Carbonic anhydrase IV BYG5E7 1-(Phenylseleno)-2-propanol Investigative 11183499 C9H12OSe 215.16 CC(C[Se]C1=CC=CC=C1)O Ki ~ 100000 nM Poor binder T53378 Carbonic anhydrase IV BYL4J9 3-(4-Methoxyphenyl)-4-(2-nitrophenyl)sulfonyl-2,3-dihydro-1,4-benzoselenazine Investigative 137650698 C21H18N2O5SSe 489.4 COC1=CC=C(C=C1)C2C[Se]C3=CC=CC=C3N2S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-] Ki ~ 100000 nM Poor binder T53378 Carbonic anhydrase IV BZ4MK5 Bis[(S)-2-(tosylamino)-3-phenylpropyl] perselenide Investigative 102151151 C32H36N2O4S2Se2 734.7 CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC2=CC=CC=C2)C[Se][Se]C[C@H](CC3=CC=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)C Ki ~ 100000 nM Poor binder T53378 Carbonic anhydrase IV D09WVV N1-(2-aminoethyl)ethane-1,2-diamine Investigative 8111 C4H13N3 103.17 C(CNCCN)N Ki = 116000 nM Poor binder T53378 Carbonic anhydrase IV D0C7LR LLZ16406 Investigative 313 ClH 36.46 Cl Ki = 90000 nM Poor binder T53378 Carbonic anhydrase IV D0G6OW Sodium 2,3,5,6-tetrafluorobenzoate Investigative 23675285 C7HF4NaO2 216.06 C1=C(C(=C(C(=C1F)F)C(=O)[O-])F)F.[Na+] Ki = 74500 nM Poor binder T53378 Carbonic anhydrase IV D0LU4S 7-butoxy-2H-chromen-2-one Investigative 156219 C13H14O3 218.25 CCCCOC1=CC2=C(C=C1)C=CC(=O)O2 Ki = 61200 nM Poor binder