TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T20401 Carbonic anhydrase II D01WJL Aminosalicylic Acid Approved 4649 C7H7NO3 153.14 C1=CC(=C(C=C1N)O)C(=O)O IC50 = 750000 nM Non binder T20401 Carbonic anhydrase II D09VTE Quinolone Approved 6038 C9H7NO 145.16 C1=CC=C2C(=C1)C=CC(=O)N2 Ki > 200000 nM Non binder T20401 Carbonic anhydrase II D0C8FX Pyrithione Zinc Approved 3005837 C10H8N2O2S2Zn 317.7 C1=CC(=S)N(C=C1)[O-].C1=CC(=S)N(C=C1)[O-].[Zn+2] Ki > 200000 nM Non binder T20401 Carbonic anhydrase II D0T8BA Sulfonamide Phase 3 5333 C6H8N2O2S 172.21 C1=CC(=CC=C1N)S(=O)(=O)N Ki = 300000 nM Non binder T20401 Carbonic anhydrase II B07THS (1R,2S,6S,9R)-4,4-Dimethyl-6-[(sulfamoylamino)methyl]-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane Investigative 24853953 C10H18N2O7S 310.33 CC1(O[C@H]2[C@H]3[C@@H](CO[C@]2(O1)CNS(=O)(=O)N)OCO3)C Ki = 300000 nM Non binder T20401 Carbonic anhydrase II B0CVJ9 (2S)-5-Chloro-2-[(sulfamoylamino)methyl]-2,3-dihydro-1,4-benzodioxine Investigative 72737581 C9H11ClN2O4S 278.71 C1[C@@H](OC2=C(O1)C(=CC=C2)Cl)CNS(=O)(=O)N IC50 = 220000 nM Non binder T20401 Carbonic anhydrase II B0I2NP 1-[(E)-(2-Chlorophenyl)methylideneamino]-3-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)urea Investigative 44435848 C10H8ClN5OS2 313.8 C1=CC=C(C(=C1)/C=N/NC(=O)NC2=NNC(=S)S2)Cl Ki = 412000 nM Non binder T20401 Carbonic anhydrase II B0ULA9 Sodium valerate Investigative 3669864 C5H9NaO2 124.11 CCCCC(=O)[O-].[Na+] Ki = 257000 nM Non binder T20401 Carbonic anhydrase II B0VI1Y N-(Dipropylsulfamoyl)-N-propylpropan-1-amine Investigative 44424363 C12H28N2O2S 264.43 CCCN(CCC)S(=O)(=O)N(CCC)CCC Ki > 200000 nM Non binder T20401 Carbonic anhydrase II B16GIK 6-Hydroxy-2H-chromene-2-thione Investigative 57386887 C9H6O2S 178.21 C1=CC2=C(C=CC(=S)O2)C=C1O Ki > 200000 nM Non binder T20401 Carbonic anhydrase II B1ZX6I N-[2-Oxo-4-(trifluoromethyl)-2H-1-benzopyran-7-yl]-2-(benzoylamino)benzamide Investigative 132495363 C24H15F3N2O4 452.4 C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NC3=CC4=C(C=C3)C(=CC(=O)O4)C(F)(F)F Ki > 500000 nM Non binder T20401 Carbonic anhydrase II B23ZDY Methanesulfonamide Investigative 72879 CH5NO2S 95.12 CS(=O)(=O)N Ki = 390000 nM Non binder T20401 Carbonic anhydrase II B2MK1G Di-tert-butylethane-1,2-diylbis(2-(2,2,2-trifluoroacetamido)ethylcarbamate Investigative 12066940 C20H32F6N4O6 538.5 CC(C)(C)OC(=O)N(CCNC(=O)C(F)(F)F)CCN(CCNC(=O)C(F)(F)F)C(=O)OC(C)(C)C Ki > 500000 nM Non binder T20401 Carbonic anhydrase II B2P7AR 5-[4-(4-Bromo-benzenesulfonyl)-phenyl]-4-p-tolyl-4H-[1,2,4]triazole-3-thiol Investigative 44402062 C21H16BrN3O2S2 486.4 CC1=CC=C(C=C1)N2C(=NNC2=S)C3=CC=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)Br Ki = 251000 nM Non binder T20401 Carbonic anhydrase II B34OAG 2-(2-Oxochromen-7-yl)oxyethyl 4-methylbenzenesulfonate Investigative 57386890 C18H16O6S 360.4 CC1=CC=C(C=C1)S(=O)(=O)OCCOC2=CC3=C(C=C2)C=CC(=O)O3 Ki > 200000 nM Non binder T20401 Carbonic anhydrase II B35NTD N,N'-Dicyclopropylsulfuric diamide Investigative 44424362 C6H12N2O2S 176.24 C1CC1NS(=O)(=O)NC2CC2 Ki > 200000 nM Non binder T20401 Carbonic anhydrase II B3CF2B Methyl 3-(Butylsulfamoylamino)Propanoate Investigative 25258363 C8H18N2O4S 238.31 CCCCNS(=O)(=O)NCCC(=O)OC Ki > 200000 nM Non binder T20401 Carbonic anhydrase II B3LH2D 1-(3,5-Dimethylphenyl)-3-(4-methyl-2-oxochromen-7-yl)urea Investigative 57387136 C19H18N2O3 322.4 CC1=CC(=CC(=C1)NC(=O)NC2=CC3=C(C=C2)C(=CC(=O)O3)C)C Ki > 200000 nM Non binder T20401 Carbonic anhydrase II B3NI9L 4,6-Dimethyl-2H-pyran-2-one oxime Investigative 57345662 C7H9NO2 139.15 CC1=C/C(=N\\O)/OC(=C1)C Ki > 200000 nM Non binder T20401 Carbonic anhydrase II B3P4BQ 2-Hydroxy-5-sulfobenzoic acid Investigative 7322 C7H6O6S 218.19 C1=CC(=C(C=C1S(=O)(=O)O)C(=O)O)O IC50 = 290000 nM Non binder T20401 Carbonic anhydrase II B3SNF6 3-(4-(4-Chlorophenylsulfonyl)phenyl)-4-propyl-1H-1,2,4-triazole-5(4H)-thione Investigative 42644449 C17H16ClN3O2S2 393.9 CCCN1C(=NNC1=S)C2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)Cl Ki = 618000 nM Non binder T20401 Carbonic anhydrase II B4QL8W Disodium carbamoyl phosphate Investigative 11970596 CH2NNa2O5P 184.98 C(=O)(N)OP(=O)([O-])[O-].[Na+].[Na+] Ki = 310000 nM Non binder T20401 Carbonic anhydrase II B5GC0T 2-Mercaptoquinoline-N-oxide Investigative 9812913 C9H7NOS 177.22 C1=CC=C2C(=C1)C=CC(=S)N2O Ki = 950000 nM Non binder T20401 Carbonic anhydrase II B5IK8N Dicyanoaurate Investigative 446142 C2AuN2- 249 [C-]#N.[C-]#N.[Au+] Ki = 580000 nM Non binder T20401 Carbonic anhydrase II B6E1XO Di-tert-butylpropane-1,3-diylbis(2-(2,2,2-trifluoroacetamido)-ethylcarbamate Investigative 12066941 C21H34F6N4O6 552.5 CC(C)(C)OC(=O)N(CCCN(CCNC(=O)C(F)(F)F)C(=O)OC(C)(C)C)CCNC(=O)C(F)(F)F Ki > 500000 nM Non binder T20401 Carbonic anhydrase II B6JEQ4 1-Mesyl-5-bromouracil Investigative 11482579 C5H5BrN2O4S 269.08 CS(=O)(=O)N1C=C(C(=O)NC1=O)Br Ki = 645000 nM Non binder T20401 Carbonic anhydrase II B6NXA7 Heptafluoroniobium(2-) Investigative 4712722 F7Nb-2 225.895 F[Nb-2](F)(F)(F)(F)(F)F Ki = 600000 nM Non binder T20401 Carbonic anhydrase II B6T5RQ 5-Methylquinoline-8-thiol Investigative 12507616 C10H9NS 175.25 CC1=C2C=CC=NC2=C(C=C1)S IC50 > 200000 nM Non binder T20401 Carbonic anhydrase II B71NEW N,N,N',N'-Tetrabutylsulfamide Investigative 44424364 C16H36N2O2S 320.5 CCCCN(CCCC)S(=O)(=O)N(CCCC)CCCC Ki > 200000 nM Non binder T20401 Carbonic anhydrase II B7LEZ2 1-[(E)-1-(4-Methoxyphenyl)ethylideneamino]-3-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)urea Investigative 44435861 C12H13N5O2S2 323.4 C/C(=N\\NC(=O)NC1=NNC(=S)S1)/C2=CC=C(C=C2)OC Ki = 346000 nM Non binder T20401 Carbonic anhydrase II B7OHR2 (-)-Dihydroguaiaretic acid Investigative 11602375 C20H26O4 330.4 C[C@H](CC1=CC(=C(C=C1)O)OC)[C@H](C)CC2=CC(=C(C=C2)O)OC Ki = 230000 nM Non binder T20401 Carbonic anhydrase II B8B7AS Imidodisulfuric acid Investigative 162152 H3NO6S2 177.16 N(S(=O)(=O)O)S(=O)(=O)O Ki = 760000 nM Non binder T20401 Carbonic anhydrase II B8J1KR 2-[(4-Fluorobenzoyl)amino]-N-(4-methyl-2-oxochromen-7-yl)benzamide Investigative 134154625 C24H17FN2O4 416.4 CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)C3=CC=CC=C3NC(=O)C4=CC=C(C=C4)F Ki > 500000 nM Non binder T20401 Carbonic anhydrase II B8P0IO Tert-butyl 4-methyl-2-oxo-2H-chromen-7-ylcarbamate Investigative 57387137 C15H17NO4 275.3 CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)OC(C)(C)C Ki > 200000 nM Non binder T20401 Carbonic anhydrase II B94CVN 1-[(E)-(4-Hydroxy-3-methoxyphenyl)methylideneamino]-3-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)urea Investigative 136104491 C11H11N5O3S2 325.4 COC1=C(C=CC(=C1)/C=N/NC(=O)NC2=NNC(=S)S2)O Ki = 386000 nM Non binder T20401 Carbonic anhydrase II B9IRF2 trans-(1S(R),2S(R))-2-Hydroxycyclohexyl nitrate Investigative 10964817 C6H11NO4 161.16 C1CC[C@@H]([C@H](C1)O)O[N+](=O)[O-] IC50 = 560000 nM Non binder T20401 Carbonic anhydrase II B9PUL1 (2S)-2-[[(Tert-Butyloxycarbonyl)sulfamoyl]amino]propionic acid methyl ester Investigative 15014351 C9H18N2O6S 282.32 C[C@@H](C(=O)OC)NS(=O)(=O)NC(=O)OC(C)(C)C Ki > 200000 nM Non binder T20401 Carbonic anhydrase II B9URB3 1-[(E)-1-(4-Hydroxyphenyl)ethylideneamino]-3-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)urea Investigative 136104494 C11H11N5O2S2 309.4 C/C(=N\\NC(=O)NC1=NNC(=S)S1)/C2=CC=C(C=C2)O Ki = 350000 nM Non binder T20401 Carbonic anhydrase II BAP2U0 Sodium 3-Methylvalerate Investigative 54584941 C6H11NaO2 138.14 CCC(C)CC(=O)[O-].[Na+] Ki = 281000 nM Non binder T20401 Carbonic anhydrase II BB08IA 4-Methylquinoline-8-thiol Investigative 12344252 C10H9NS 175.25 CC1=C2C=CC=C(C2=NC=C1)S IC50 > 200000 nM Non binder T20401 Carbonic anhydrase II BB38GO 5-(4-Benzenesulfonyl-phenyl)-4-butyl-4H-[1,2,4]triazole-3-thiol Investigative 10926842 C18H19N3O2S2 373.5 CCCCN1C(=NNC1=S)C2=CC=C(C=C2)S(=O)(=O)C3=CC=CC=C3 Ki = 604000 nM Non binder T20401 Carbonic anhydrase II BBTJ03 Pyrithione Investigative 1570 C5H5NOS 127.17 C1=CC(=S)N(C=C1)O Ki = 510000 nM Non binder T20401 Carbonic anhydrase II BBWV30 (1R,2S,6S,9R)-4,4-Dimethyl-6-[(sulfamoylamino)methyl]spiro[3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-11,1'-cyclohexane] Investigative 24853954 C15H26N2O7S 378.4 CC1(O[C@H]2[C@H]3[C@@H](CO[C@]2(O1)CNS(=O)(=O)N)OC4(O3)CCCCC4)C Ki > 300000 nM Non binder T20401 Carbonic anhydrase II BC29YW Fluorosulfonic acid Investigative 24603 FHO3S 100.07 OS(=O)(=O)F Ki = 460000 nM Non binder T20401 Carbonic anhydrase II BCP1M2 N-(4-Methyl-2-oxochromen-7-yl)acetamide Investigative 927433 C12H11NO3 217.22 CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)C Ki > 200000 nM Non binder T20401 Carbonic anhydrase II BCT5Y2 Sodium argentous cyanide Investigative 167985 C2AgN2Na 182.89 [C-]#N.[C-]#N.[Na+].[Ag+] Ki = 760000 nM Non binder T20401 Carbonic anhydrase II BDC13X 2-[(4-Chlorobenzoyl)amino]-N-(4-methyl-2-oxochromen-7-yl)benzamide Investigative 134152281 C24H17ClN2O4 432.9 CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)C3=CC=CC=C3NC(=O)C4=CC=C(C=C4)Cl Ki > 500000 nM Non binder T20401 Carbonic anhydrase II BDG7U3 2-[(4-Chlorobenzoyl)amino]-N-[2-oxo-4-(trifluoromethyl)chromen-7-yl]benzamide Investigative 134155483 C24H14ClF3N2O4 486.8 C1=CC=C(C(=C1)C(=O)NC2=CC3=C(C=C2)C(=CC(=O)O3)C(F)(F)F)NC(=O)C4=CC=C(C=C4)Cl Ki > 500000 nM Non binder T20401 Carbonic anhydrase II BDS41H Disodium maleate Investigative 6364608 C4H2Na2O4 160.04 C(=C\\C(=O)[O-])\\C(=O)[O-].[Na+].[Na+] Ki = 989000 nM Non binder T20401 Carbonic anhydrase II BE71JG Chloric acid Investigative 19654 ClHO3 84.46 OCl(=O)=O Ki = 850000 nM Non binder T20401 Carbonic anhydrase II BE7PQ2 Sodium isobutyrate Investigative 23674499 C4H7NaO2 110.09 CC(C)C(=O)[O-].[Na+] Ki = 350000 nM Non binder T20401 Carbonic anhydrase II BEFR35 Coumaphos Investigative 2871 C14H16ClO5PS 362.8 CCOP(=S)(OCC)OC1=CC2=C(C=C1)C(=C(C(=O)O2)Cl)C Ki > 200000 nM Non binder T20401 Carbonic anhydrase II BF16TG 7-(2-Fluoroethyloxy)-coumarin Investigative 57387135 C11H9FO3 208.18 C1=CC(=CC2=C1C=CC(=O)O2)OCCF Ki > 200000 nM Non binder T20401 Carbonic anhydrase II BFU40J Methyl 3-[(2-Hydroxyphenoxy)Sulfonylamino]Propanoate Investigative 25258358 C10H13NO6S 275.28 COC(=O)CCNS(=O)(=O)OC1=CC=CC=C1O Ki > 200000 nM Non binder T20401 Carbonic anhydrase II BFUO83 trans-(1S(R),8S(R),Z)-8-Hydroxycyclooct-4-enyl nitrate Investigative 45266944 C8H13NO4 187.19 C/1C[C@@H]([C@H](CC/C=C1)O[N+](=O)[O-])O IC50 = 243000 nM Non binder T20401 Carbonic anhydrase II BG7TH5 (1R,2S,6S,9R,11R)-4,4,11-Trimethyl-6-[(sulfamoylamino)methyl]-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane Investigative 24829374 C11H20N2O7S 324.35 C[C@@H]1O[C@@H]2CO[C@@]3([C@H]([C@@H]2O1)OC(O3)(C)C)CNS(=O)(=O)N Ki = 300000 nM Non binder T20401 Carbonic anhydrase II BH4J6A N-(2,2-Dimethyl-1,3-dioxolan-4-ylmethyl)sulfamide Investigative 11521331 C6H14N2O4S 210.25 CC1(OCC(O1)CNS(=O)(=O)N)C Ki = 408000 nM Non binder T20401 Carbonic anhydrase II BI6H1R 2,4-Dihydroxy-6-nitroquinazoline Investigative 816982 C8H5N3O4 207.14 C1=CC2=C(C=C1[N+](=O)[O-])C(=O)NC(=O)N2 Ki > 500000 nM Non binder T20401 Carbonic anhydrase II BIU4M5 1-Acetyl-5-bromopyrimidine-2,4-dione Investigative 122185233 C6H5BrN2O3 233.02 CC(=O)N1C=C(C(=O)NC1=O)Br Ki = 778500 nM Non binder T20401 Carbonic anhydrase II BIYO50 N,N'-Sulfonyl Bis-L-alanine Dimethyl Ester Investigative 18710120 C8H16N2O6S 268.29 C[C@@H](C(=O)OC)NS(=O)(=O)N[C@@H](C)C(=O)OC Ki > 200000 nM Non binder T20401 Carbonic anhydrase II BK2S7Q 1-Hydroxy-5-(Trifluoromethyl)pyridine-2(1h)-Thione Investigative 9964347 C6H4F3NOS 195.16 C1=CC(=S)N(C=C1C(F)(F)F)O Ki = 270000 nM Non binder T20401 Carbonic anhydrase II BKF2Q1 trans-(1S(R),6S(R))-6-Hydroxycyclohex-3-enyl nitrate Investigative 45268767 C6H9NO4 159.14 C1C=CC[C@@H]([C@H]1O)O[N+](=O)[O-] IC50 = 790000 nM Non binder T20401 Carbonic anhydrase II BL03ET 1-Hydroxy-5-Methylpyridine-2(1h)-Thione Investigative 9942169 C6H7NOS 141.19 CC1=CN(C(=S)C=C1)O Ki = 260000 nM Non binder T20401 Carbonic anhydrase II BL6R2E (1R,2S,6S,9R)-4,4-Dimethyl-6-[(sulfamoylamino)methyl]spiro[3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-11,1'-cyclopentane] Investigative 24853952 C14H24N2O7S 364.42 CC1(O[C@H]2[C@H]3[C@@H](CO[C@]2(O1)CNS(=O)(=O)N)OC4(O3)CCCC4)C Ki > 300000 nM Non binder T20401 Carbonic anhydrase II BM35ZE 2-Phenyl-N-(2-phenylethylsulfamoyl)ethanamine Investigative 14787919 C16H20N2O2S 304.4 C1=CC=C(C=C1)CCNS(=O)(=O)NCCC2=CC=CC=C2 Ki > 200000 nM Non binder T20401 Carbonic anhydrase II BM7QK4 Sodium 4-Methylvalerate Investigative 23672490 C6H11NaO2 138.14 CC(C)CCC(=O)[O-].[Na+] Ki = 320000 nM Non binder T20401 Carbonic anhydrase II BM8C1W Tetraborsaure Investigative 4321567 B4H2O7 157.3 B(=O)OB(O)OB(O)OB=O Ki = 950000 nM Non binder T20401 Carbonic anhydrase II BM8Z9E Methyl 3-[(3-methoxy-3-oxopropyl)sulfamoylamino]propanoate Investigative 25258360 C8H16N2O6S 268.29 COC(=O)CCNS(=O)(=O)NCCC(=O)OC Ki > 200000 nM Non binder T20401 Carbonic anhydrase II BMWO81 1-[(E)-(4-Bromophenyl)methylideneamino]-3-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)urea Investigative 23661710 C10H8BrN5OS2 358.2 C1=CC(=CC=C1/C=N/NC(=O)NC2=NNC(=S)S2)Br Ki = 360000 nM Non binder T20401 Carbonic anhydrase II BO90EF 1-[(E)-(4-Methoxyphenyl)methylideneamino]-3-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)urea Investigative 44435846 C11H11N5O2S2 309.4 COC1=CC=C(C=C1)/C=N/NC(=O)NC2=NNC(=S)S2 Ki = 350000 nM Non binder T20401 Carbonic anhydrase II BOB1D5 2-Benzamido-N-(4-methyl-2-oxochromen-7-yl)benzamide Investigative 134141819 C24H18N2O4 398.4 CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)C3=CC=CC=C3NC(=O)C4=CC=CC=C4 Ki > 500000 nM Non binder T20401 Carbonic anhydrase II BOB23T 4-Hydroxyquinazoline Investigative 135408753 C8H6N2O 146.15 C1=CC=C2C(=C1)C(=O)NC=N2 Ki > 500000 nM Non binder T20401 Carbonic anhydrase II BPE40U (3S)-5-Methoxy-3-[(sulfamoylamino)methyl]-2,3-dihydro-1,4-benzodioxine Investigative 72737586 C10H14N2O5S 274.3 COC1=CC=CC2=C1O[C@H](CO2)CNS(=O)(=O)N IC50 = 300000 nM Non binder T20401 Carbonic anhydrase II BPV1B8 4-Butyl-5-[4-(4-chloro-benzenesulfonyl)-phenyl]-4H-[1,2,4]triazole-3-thiol Investigative 11112315 C18H18ClN3O2S2 407.9 CCCCN1C(=NNC1=S)C2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)Cl Ki = 227000 nM Non binder T20401 Carbonic anhydrase II BQ70UH 1-[(E)-(2-Nitrophenyl)methylideneamino]-3-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)urea Investigative 44435853 C10H8N6O3S2 324.3 C1=CC=C(C(=C1)/C=N/NC(=O)NC2=NNC(=S)S2)[N+](=O)[O-] Ki = 433000 nM Non binder T20401 Carbonic anhydrase II BQP57S 8-Mercaptoquinoline Investigative 96028 C9H7NS 161.23 C1=CC2=C(C(=C1)S)N=CC=C2 IC50 > 200000 nM Non binder T20401 Carbonic anhydrase II BRMA78 Dioxido(oxo)tin Investigative 25502 O3Sn-2 166.71 [O-][Sn](=O)[O-] Ki = 830000 nM Non binder T20401 Carbonic anhydrase II BS2H3U N-(1H-Indol-3-ylmethyl)sulfamide Investigative 44597633 C9H11N3O2S 225.27 C1=CC=C2C(=C1)C(=CN2)CNS(=O)(=O)N IC50 = 300000 nM Non binder T20401 Carbonic anhydrase II BTFE12 P-Toluenesulfonic acid Investigative 6101 C7H8O3S 172.2 CC1=CC=C(C=C1)S(=O)(=O)O Ki = 460000 nM Non binder T20401 Carbonic anhydrase II BTKP31 1-[(E)-(3-Bromophenyl)methylideneamino]-3-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)urea Investigative 44435850 C10H8BrN5OS2 358.2 C1=CC(=CC(=C1)Br)/C=N/NC(=O)NC2=NNC(=S)S2 Ki = 235750 nM Non binder T20401 Carbonic anhydrase II BTN45D N,N'-Sulfonyl Bis-L-valine Dimethyl Ester Investigative 12051191 C12H24N2O6S 324.4 CC(C)[C@@H](C(=O)OC)NS(=O)(=O)N[C@@H](C(C)C)C(=O)OC Ki > 200000 nM Non binder T20401 Carbonic anhydrase II BUN2Z4 Sodium oxalate Investigative 6125 C2Na2O4 134 C(=O)(C(=O)[O-])[O-].[Na+].[Na+] Ki = 990000 nM Non binder T20401 Carbonic anhydrase II BUW28P Sodium pyrovanadate(V) Investigative 4608376 O7V2-4 213.88 [O-][V](=O)([O-])O[V](=O)([O-])[O-] Ki = 570000 nM Non binder T20401 Carbonic anhydrase II BV29IP Tert-butyl N-(dipropylsulfamoyl)carbamate Investigative 44424366 C11H24N2O4S 280.39 CCCN(CCC)S(=O)(=O)NC(=O)OC(C)(C)C Ki > 200000 nM Non binder T20401 Carbonic anhydrase II BVLY80 (Dihydroxy(oxo)vanadio)oxy-dihydroxy-oxovanadium Investigative 5462815 H4O7V2 217.91 O[V](=O)(O)O[V](=O)(O)O Ki = 570000 nM Non binder T20401 Carbonic anhydrase II BWD4G5 4-Methoxycinnamic acid Investigative 699414 C10H10O3 178.18 COC1=CC=C(C=C1)/C=C/C(=O)O IC50 = 760000 nM Non binder T20401 Carbonic anhydrase II BWN1X0 7-(2-Hydroxyethyloxy)coumarin Investigative 22706805 C11H10O4 206.19 C1=CC(=CC2=C1C=CC(=O)O2)OCCO Ki > 200000 nM Non binder T20401 Carbonic anhydrase II BWOR72 5-[4-(4-Bromo-benzenesulfonyl)-phenyl]-4-m-tolyl-4H-[1,2,4]triazole-3-thiol Investigative 44401926 C21H16BrN3O2S2 486.4 CC1=CC(=CC=C1)N2C(=NNC2=S)C3=CC=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)Br Ki = 301000 nM Non binder T20401 Carbonic anhydrase II BWS8H6 Perrhenate Investigative 139584 O4Re- 250.2 [O-][Re](=O)(=O)=O Ki = 750000 nM Non binder T20401 Carbonic anhydrase II BX0U3S 2-[(4-Fluorobenzoyl)amino]-N-[2-oxo-4-(trifluoromethyl)chromen-7-yl]benzamide Investigative 134133137 C24H14F4N2O4 470.4 C1=CC=C(C(=C1)C(=O)NC2=CC3=C(C=C2)C(=CC(=O)O3)C(F)(F)F)NC(=O)C4=CC=C(C=C4)F Ki > 500000 nM Non binder T20401 Carbonic anhydrase II BX0Y9J 3-(4-(4-Bromophenylsulfonyl)phenyl)-4-propyl-1H-1,2,4-triazole-5(4H)-thione Investigative 42644450 C17H16BrN3O2S2 438.4 CCCN1C(=NNC1=S)C2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)Br Ki = 382000 nM Non binder T20401 Carbonic anhydrase II BX5QZ6 Tetrachloroplatinate(2-) Investigative 61441 Cl4Pt-2 336.9 Cl[Pt-2](Cl)(Cl)Cl Ki = 510000 nM Non binder T20401 Carbonic anhydrase II BXE10F 5-(4-Benzenesulfonyl-phenyl)-4-propyl-4H-[1,2,4]triazole-3-thiol Investigative 42643988 C17H17N3O2S2 359.5 CCCN1C(=NNC1=S)C2=CC=C(C=C2)S(=O)(=O)C3=CC=CC=C3 Ki = 276000 nM Non binder T20401 Carbonic anhydrase II BY1A4M Dihydroxidodioxidotellurium Investigative 61609 H2O4Te 193.6 O[Te](=O)(=O)O Ki = 920000 nM Non binder T20401 Carbonic anhydrase II BY4X6B 4-Sulfosalicylic acid Investigative 164000 C7H6O6S 218.19 C1=CC(=C(C=C1S(=O)(=O)O)O)C(=O)O IC50 = 720000 nM Non binder T20401 Carbonic anhydrase II BY68EN (NZ)-N-chromen-2-ylidenehydroxylamine Investigative 6537802 C9H7NO2 161.16 C1=CC=C2C(=C1)C=C/C(=N/O)/O2 Ki > 200000 nM Non binder T20401 Carbonic anhydrase II BZ18TA N1,N2-(2-(2,2,2-Trifluoroacetamido)ethyl)ethane-1,2-diaminium Trifluoroacetate Investigative 15938557 C10H16F6N4O2 338.25 C(CNCCNC(=O)C(F)(F)F)NCCNC(=O)C(F)(F)F Ki > 500000 nM Non binder T20401 Carbonic anhydrase II BZ4CR5 4-[5-(Methyloxycarbonyl)-pentylamino]-1-hydroxy-2(1H)-pyrimidinone Investigative 46891018 C11H17N3O4 255.27 COC(=O)CCCCCNC1=NC(=O)N(C=C1)O Ki = 270000 nM Non binder T20401 Carbonic anhydrase II BZ65UN N#C[Cu-]C#N Investigative 60167587 C2CuN2- 115.58 [C-]#N.[C-]#N.[Cu+] Ki = 560000 nM Non binder T20401 Carbonic anhydrase II BZ7MR5 1-Hydroxy-4,6-Dimethylpyridine-2(1h)-Thione Investigative 9898889 C7H9NOS 155.22 CC1=CC(=S)N(C(=C1)C)O Ki = 950000 nM Non binder T20401 Carbonic anhydrase II BZ7TQ6 N-(5-Mercapto-[1,3,4]thiadiazol-2-yl)-2-nitro-benzenesulfonamide Investigative 44401951 C8H6N4O4S3 318.4 C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)NC2=NNC(=S)S2 Ki = 230000 nM Non binder T20401 Carbonic anhydrase II BZB6P2 N-{[(3As,5aR,8aR,8bS)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methyl}sulfamide Investigative 10712038 C12H22N2O7S 338.38 CC1(O[C@@H]2CO[C@@]3([C@H]([C@@H]2O1)OC(O3)(C)C)CNS(=O)(=O)N)C Ki = 340000 nM Non binder T20401 Carbonic anhydrase II BZOJ57 1-[(E)-Benzylideneamino]-3-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)urea Investigative 44435843 C10H9N5OS2 279.3 C1=CC=C(C=C1)/C=N/NC(=O)NC2=NNC(=S)S2 Ki = 354000 nM Non binder T20401 Carbonic anhydrase II D01BUB 2,5-difluorophenol Investigative 94952 C6H4F2O 130.09 C1=CC(=C(C=C1F)O)F Ki = 870000 nM Non binder T20401 Carbonic anhydrase II D03MJM Trans-(R(S))-2-Hydroxy-1-phenylethyl nitrate Investigative 45273020 C8H9NO4 183.16 C1=CC=C(C=C1)[C@H](CO)O[N+](=O)[O-] IC50 = 632000 nM Non binder T20401 Carbonic anhydrase II D06XVV BENZOYLENUREA Investigative 64048 C8H6N2O2 162.15 C1=CC=C2C(=C1)C(=O)NC(=O)N2 Ki > 500000 nM Non binder T20401 Carbonic anhydrase II D07MTM 4-AMINOPHENOL Investigative 403 C6H7NO 109.13 C1=CC(=CC=C1N)O Ki = 752000 nM Non binder T20401 Carbonic anhydrase II D07PZQ L-serine-O-phosphate Investigative 68841 C3H8NO6P 185.07 C([C@@H](C(=O)O)N)OP(=O)(O)O Ki = 420000 nM Non binder T20401 Carbonic anhydrase II D07VXX 2-(benzyloxyamino)-N-hydroxy-3-methylpentanamide Investigative 16721024 C13H20N2O3 252.31 CCC(C)C(C(=O)NO)NOCC1=CC=CC=C1 Ki = 267000 nM Non binder T20401 Carbonic anhydrase II D0B0SD Propionate Investigative 104745 C3H5O2- 73.07 CCC(=O)[O-] Ki = 960000 nM Non binder T20401 Carbonic anhydrase II D0F7QZ Styrylboronic acid Investigative 5702628 C8H9BO2 147.97 B(/C=C/C1=CC=CC=C1)(O)O Ki = 534000 nM Non binder T20401 Carbonic anhydrase II D0FD8G 2-(biphenyl-4-yl)vinylboronic acid Investigative 6011033 C14H13BO2 224.06 B(/C=C/C1=CC=C(C=C1)C2=CC=CC=C2)(O)O Ki = 373000 nM Non binder T20401 Carbonic anhydrase II D0H3NS 2-oxo-2H-chromene-3-carboxylic acid Investigative 10752 C10H6O4 190.15 C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)O Ki > 500000 nM Non binder T20401 Carbonic anhydrase II D0L5XK 7-AMINO-4-METHYL-CHROMEN-2-ONE Investigative 92249 C10H9NO2 175.18 CC1=CC(=O)OC2=C1C=CC(=C2)N Ki > 200000 nM Non binder T20401 Carbonic anhydrase II D0Q2XB 3,5-difluorophenol Investigative 75928 C6H4F2O 130.09 C1=C(C=C(C=C1F)F)O Ki = 339790 nM Non binder T20401 Carbonic anhydrase II D0U4BB HERNIARIN Investigative 10748 C10H8O3 176.17 COC1=CC2=C(C=C1)C=CC(=O)O2 Ki > 500000 nM Non binder T20401 Carbonic anhydrase II D0X0RE 4-methylstyrylboronic acid Investigative 6019835 C9H11BO2 162 B(/C=C/C1=CC=C(C=C1)C)(O)O Ki = 617000 nM Non binder