Detailed information for compound 316941

Basic information

Technical information
  • TDR Targets ID: 316941
  • Name: 5-(2-chlorophenyl)-1,3,4-thiadiazole-2-sulfon amide
  • MW: 275.735 | Formula: C8H6ClN3O2S2
  • H donors: 1 H acceptors: 4 LogP: 1.55 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccccc1c1nnc(s1)S(=O)(=O)N
  • InChi: 1S/C8H6ClN3O2S2/c9-6-4-2-1-3-5(6)7-11-12-8(15-7)16(10,13)14/h1-4H,(H2,10,13,14)
  • InChiKey: PZVGOWIIHCUHAO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • chlorzolamide
  • 1,3,4-Thiadiazole-2-sulfonamide, 5-(2-chlorophenyl)-
  • 2-(o-Chlorophenyl)thiadiazole-5-sulfonamide
  • CL 13,580

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens carbonic anhydrase III, muscle specific Starlite/ChEMBL References
Homo sapiens carbonic anhydrase VI Starlite/ChEMBL References
Homo sapiens carbonic anhydrase IX Starlite/ChEMBL References
Homo sapiens carbonic anhydrase II Starlite/ChEMBL References
Sulfurihydrogenibium sp. (strain YO3AOP1) Carbonate dehydratase Starlite/ChEMBL References
Astrosclera willeyana Astrosclerin-3 Starlite/ChEMBL References
Candida glabrata CBS 138 Carbonic anhydrase Starlite/ChEMBL References
Homo sapiens carbonic anhydrase XII Starlite/ChEMBL References
Homo sapiens carbonic anhydrase VA, mitochondrial Starlite/ChEMBL References
Mycobacterium tuberculosis Beta-carbonic anhydrase References
Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacterpylori) Carbonic anhydrase 1 Starlite/ChEMBL References
Mus musculus carbonic anhydrase 15 Starlite/ChEMBL References
Homo sapiens carbonic anhydrase I Starlite/ChEMBL References
Homo sapiens carbonic anhydrase VB, mitochondrial Starlite/ChEMBL References
Thiomicrospira crunogena (strain XCL-2) Carbonic anhydrase, alpha family Starlite/ChEMBL References
Homo sapiens carbonic anhydrase VII Starlite/ChEMBL References
Saccharomyces cerevisiae carbonate dehydratase NCE103 Starlite/ChEMBL References
Candida albicans Involved in protection against oxidative damage Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma brucei gambiense carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Mycobacterium tuberculosis Beta-carbonic anhydrase Get druggable targets OG5_135410 All targets in OG5_135410
Candida albicans hypothetical protein Get druggable targets OG5_135410 All targets in OG5_135410
Trypanosoma cruzi carbonic anhydrase-like protein, putative Get druggable targets OG5_127628 All targets in OG5_127628
Mycobacterium leprae CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) Get druggable targets OG5_127503 All targets in OG5_127503
Schistosoma japonicum ko:K01672 carbonic anhydrase [EC4.2.1.1], putative Get druggable targets OG5_127628 All targets in OG5_127628
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase Get druggable targets OG5_127628 All targets in OG5_127628
Brugia malayi Eukaryotic-type carbonic anhydrase family protein Get druggable targets OG5_127628 All targets in OG5_127628
Trypanosoma cruzi carbonic anhydrase-like protein, putative Get druggable targets OG5_127628 All targets in OG5_127628
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) Get druggable targets OG5_127628 All targets in OG5_127628
Mycobacterium tuberculosis Beta-carbonic anhydrase CanB Get druggable targets OG5_127503 All targets in OG5_127503
Leishmania braziliensis carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Trypanosoma congolense carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Leishmania mexicana carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Candida albicans Involved in protection against oxidative damage Get druggable targets OG5_127503 All targets in OG5_127503
Trypanosoma congolense carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Leishmania major carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) Get druggable targets OG5_127628 All targets in OG5_127628
Entamoeba histolytica carbonic anhydrase, putative Get druggable targets OG5_127503 All targets in OG5_127503
Leishmania infantum carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Leishmania donovani carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Brugia malayi Putative carbonic anhydrase 5 precursor Get druggable targets OG5_127628 All targets in OG5_127628
Echinococcus multilocularis carbonic anhydrase II Get druggable targets OG5_127628 All targets in OG5_127628
Candida albicans Involved in protection against oxidative damage Get druggable targets OG5_127503 All targets in OG5_127503
Candida albicans hypothetical protein Get druggable targets OG5_135410 All targets in OG5_135410
Trypanosoma brucei carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_135410 All targets in OG5_135410
Leishmania donovani carbonic anhydrase family protein, putative Get druggable targets OG5_127503 All targets in OG5_127503
Mycobacterium ulcerans carbonic anhydrase Get druggable targets OG5_127503 All targets in OG5_127503
Leishmania infantum carbonic anhydrase family protein, putative Get druggable targets OG5_127503 All targets in OG5_127503
Leishmania major carbonic anhydrase family protein, putative Get druggable targets OG5_127503 All targets in OG5_127503
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_135410 All targets in OG5_135410
Echinococcus granulosus carbonic anhydrase II Get druggable targets OG5_127628 All targets in OG5_127628
Mycobacterium ulcerans carbonic anhydrase Get druggable targets OG5_135410 All targets in OG5_135410
Leishmania mexicana carbonic anhydrase family protein, putative Get druggable targets OG5_127503 All targets in OG5_127503
Leishmania braziliensis carbonic anhydrase family protein, putative Get druggable targets OG5_127503 All targets in OG5_127503
Schistosoma japonicum ko:K01672 carbonic anhydrase [EC4.2.1.1], putative Get druggable targets OG5_127503 All targets in OG5_127503
Schistosoma mansoni carbonic anhydrase Get druggable targets OG5_127503 All targets in OG5_127503
Loa Loa (eye worm) carbonic anhydrase 3 Get druggable targets OG5_127628 All targets in OG5_127628
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Carbonic anhydrase like protein 2 precursor carbonic anhydrase VII 208 aa 212 aa 33.0 %
Trypanosoma cruzi carbonic anhydrase-like protein, putative carbonic anhydrase XII 354 aa 295 aa 23.1 %
Trypanosoma brucei carbonic anhydrase-like protein carbonic anhydrase VI 308 aa 280 aa 27.9 %
Trypanosoma brucei carbonic anhydrase-like protein carbonic anhydrase III, muscle specific 260 aa 261 aa 26.1 %
Drosophila melanogaster CG18673 gene product from transcript CG18673-RC Astrosclerin-3   292 aa 246 aa 28.1 %
Trypanosoma brucei carbonic anhydrase-like protein carbonic anhydrase VB, mitochondrial 317 aa 287 aa 24.7 %
Echinococcus granulosus carbonic anhydrase II Astrosclerin-3   292 aa 236 aa 30.1 %
Schistosoma japonicum ko:K01672 carbonic anhydrase [EC4.2.1.1], putative Astrosclerin-3   292 aa 244 aa 27.0 %
Leishmania infantum carbonic anhydrase-like protein Astrosclerin-3   292 aa 287 aa 25.4 %
Echinococcus multilocularis carbonic anhydrase Astrosclerin-3   292 aa 234 aa 27.4 %
Loa Loa (eye worm) hypothetical protein Carbonate dehydratase   246 aa 230 aa 28.7 %
Trypanosoma congolense carbonic anhydrase-like protein Astrosclerin-3   292 aa 272 aa 24.3 %
Trypanosoma brucei carbonic anhydrase-like protein carbonic anhydrase I 261 aa 281 aa 25.3 %
Drosophila melanogaster Carbonic anhydrase 1 Carbonate dehydratase   246 aa 233 aa 32.6 %
Echinococcus granulosus carbonic anhydrase Astrosclerin-3   292 aa 243 aa 24.7 %
Brugia malayi Eukaryotic-type carbonic anhydrase family protein Astrosclerin-3   292 aa 256 aa 27.0 %
Schistosoma japonicum ko:K01672 carbonic anhydrase [EC4.2.1.1], putative Astrosclerin-3   292 aa 286 aa 26.9 %
Brugia malayi Carbonic anhydrase like protein 2 precursor carbonic anhydrase II 260 aa 259 aa 32.0 %
Leishmania braziliensis carbonic anhydrase-like protein Astrosclerin-3   292 aa 320 aa 25.9 %
Onchocerca volvulus Astrosclerin-3   292 aa 258 aa 25.6 %
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase Astrosclerin-3   292 aa 247 aa 28.3 %
Echinococcus multilocularis carbonic anhydrase Astrosclerin-3   292 aa 243 aa 24.3 %
Trypanosoma cruzi carbonic anhydrase-like protein, putative carbonic anhydrase 15 324 aa 263 aa 27.8 %
Leishmania donovani carbonic anhydrase-like protein Astrosclerin-3   292 aa 287 aa 25.4 %
Loa Loa (eye worm) hypothetical protein Astrosclerin-3   292 aa 259 aa 27.0 %
Loa Loa (eye worm) hypothetical protein Astrosclerin-3   292 aa 258 aa 25.2 %
Leishmania mexicana carbonic anhydrase-like protein Astrosclerin-3   292 aa 283 aa 24.7 %
Trypanosoma congolense carbonic anhydrase-like protein Astrosclerin-3   292 aa 272 aa 24.3 %
Onchocerca volvulus Astrosclerin-3   292 aa 245 aa 27.8 %
Echinococcus multilocularis carbonic anhydrase Astrosclerin-3   292 aa 268 aa 25.4 %
Trypanosoma cruzi carbonic anhydrase-like protein, putative Astrosclerin-3   292 aa 293 aa 27.0 %
Schistosoma japonicum Carbonic anhydrase-related protein 10, putative Astrosclerin-3   292 aa 235 aa 28.1 %
Leishmania major carbonic anhydrase-like protein Astrosclerin-3   292 aa 302 aa 24.8 %
Brugia malayi Carbonic anhydrase like protein 2 precursor Astrosclerin-3   292 aa 263 aa 26.6 %
Onchocerca volvulus Oxysterol-binding protein homolog Astrosclerin-3   292 aa 272 aa 33.1 %
Echinococcus granulosus carbonic anhydrase Astrosclerin-3   292 aa 294 aa 26.5 %
Schistosoma mansoni carbonic anhydrase-related Astrosclerin-3   292 aa 244 aa 27.0 %
Onchocerca volvulus Neprilysin-2 homolog Carbonate dehydratase   246 aa 230 aa 29.1 %
Leishmania major carbonic anhydrase-like protein carbonic anhydrase VA, mitochondrial 305 aa 255 aa 25.9 %
Schistosoma mansoni carbonic anhydrase-related Astrosclerin-3   292 aa 244 aa 24.6 %
Echinococcus granulosus carbonic anhydrase Astrosclerin-3   292 aa 234 aa 27.4 %
Echinococcus multilocularis carbonic anhydrase II Astrosclerin-3   292 aa 236 aa 29.7 %
Onchocerca volvulus 40S ribosomal protein S23 homolog Astrosclerin-3   292 aa 259 aa 26.3 %
Mycobacterium tuberculosis Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase) Carbonic anhydrase 1   221 aa 197 aa 27.9 %
Schistosoma mansoni carbonic anhydrase Astrosclerin-3   292 aa 269 aa 23.4 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium tuberculosis Beta-carbonic anhydrase 0.1175 0.1575 0.5
Schistosoma mansoni carbonic anhydrase 0.1101 0.1167 0.1167
Entamoeba histolytica carbonic anhydrase, putative 0.1101 0.1167 0.5
Trichomonas vaginalis conserved hypothetical protein 0.1651 0.4217 0.5
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0891 0 0.5
Echinococcus multilocularis carbonic anhydrase II 0.0891 0 0.5
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0891 0 0.5
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0891 0 0.5
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0891 0 0.5
Loa Loa (eye worm) carbonic anhydrase 3 0.0891 0 0.5
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0891 0 0.5
Leishmania major carbonic anhydrase family protein, putative 0.1101 0.1167 1
Trypanosoma brucei carbonic anhydrase-like protein 0.0891 0 0.5
Mycobacterium leprae CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) 0.1101 0.1167 0.5
Mycobacterium ulcerans carbonic anhydrase 0.1651 0.4217 1
Echinococcus granulosus carbonic anhydrase II 0.0891 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.1651 0.4217 0.5

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 45.2 microM Inhibition of full length Mycobacterium tuberculosis H37Rv recombinant carbonic anhydrase 2 encoded by RV3588c by stopped flow CO2 hydration assay ChEMBL. 19846301
Ki (binding) nM Ki value against murine carbonic anhydrase XIII was determined; (not tested) ChEMBL. 15686895
Ki (binding) 0 nM Ki value against murine carbonic anhydrase XIII was determined; (not tested) ChEMBL. 15686895
Ki (binding) = 2.5 nM Inhibition of recombinant Thiomicrospira crunogena XCL-2 carbonic anhydrase by stopped flow CO2 hydrase assay ChEMBL. 26691758
Ki (binding) = 5.4 nM Ki value against human carbonic anhydrase VII ChEMBL. 15686895
Ki (binding) = 5.4 nM Ki value against human carbonic anhydrase VII ChEMBL. 15686895
Ki (binding) = 12 nM Ki value against human carbonic anhydrase II ChEMBL. 15686895
Ki (binding) = 12 nM Ki value against human carbonic anhydrase II (hCA II) ChEMBL. 15686894
Ki (binding) = 12 nM Inhibitory activity against human recombinant cytosolic CA2 ChEMBL. 16302824
Ki (binding) = 12 nM Inhibition of human recombinant carbonic anhydrase 2 by stopped-flow CO2 hydrase assay ChEMBL. 16539401
Ki (binding) = 12 nM Inhibition of human recombinant CA2 ChEMBL. 16459077
Ki (binding) = 12 nM Inhibition of human recombinant cytosolic isozyme CA II by stopped-flow CO2 hydrase method ChEMBL. 17228881
Ki (binding) = 12 nM Ki value against human carbonic anhydrase II ChEMBL. 15686895
Ki (binding) = 12 nM Ki value against human carbonic anhydrase II (hCA II) ChEMBL. 15686894
Ki (binding) = 12 nM Inhibitory activity against human recombinant cytosolic CA2 ChEMBL. 16302824
Ki (binding) = 12 nM Inhibition of human recombinant carbonic anhydrase 2 by stopped-flow CO2 hydrase assay ChEMBL. 16539401
Ki (binding) = 12 nM Inhibition of human recombinant CA2 ChEMBL. 16459077
Ki (binding) = 12 nM Inhibition of human recombinant cytosolic isozyme CA II by stopped-flow CO2 hydrase method ChEMBL. 17228881
Ki (binding) = 12 nM Inhibition of human recombinant carbonic anhydrase 2 by stopped flow CO2 hydration method ChEMBL. 19317447
Ki (binding) = 12 nM Inhibition of human recombinant CA2 by stopped-flow CO2 hydrase assay ChEMBL. 19124253
Ki (binding) = 12 nM Inhibition of human recombinant carbonic anhydrase 2 by stopped flow CO2 hydrase assay ChEMBL. 19193158
Ki (binding) = 12 nM Inhibition of human recombinant carbonic anhydrase 2 by stopped flow CO2 hydration assay ChEMBL. 19338333
Ki (binding) = 12 nM Inhibition of Helicobacter pylori beta-carbonic anhydrase by stopped-flow CO2 hydration assay ChEMBL. 19450983
Ki (binding) = 12 nM Inhibition of human recombinant CA2 by stopped-flow hydration assay ChEMBL. 19846301
Ki (binding) = 12 nM Inhibition of human carbonic anhydrase II by spectrophotometry at pH 7.5 ChEMBL. 21251841
Ki (binding) = 12 nM Inhibition of human recombinant carbonic anhydrase 2 at pH 7.5 by stopped flow CO2 hydration assay ChEMBL. 21757360
Ki (binding) = 12 nM Inhibition of human recombinant carbonic anhydrase 2 after 15 mins by stopped flow CO2 hydration assay ChEMBL. 22285172
Ki (binding) = 12 nM Inhibition of human carbonic anhydrase 2 preincubated for 15 mins measured for 10 to 100 sec by stopped-flow method ChEMBL. 22424239
Ki (binding) = 12 nM Inhibition of recombinant human carbonic anhydrase-2 by stopped flow CO2 hydrase assay ChEMBL. 26691758
Ki (binding) = 30 nM Inhibitory activity against human recombinant mitochondrial isozyme CA VB ChEMBL. 16302824
Ki (binding) = 30 nM Inhibition of catalytic domain of human recombinant CA IX ChEMBL. 17228881
Ki (binding) = 30 nM Inhibitory activity against human recombinant mitochondrial isozyme CA VB ChEMBL. 16302824
Ki (binding) = 30 nM Inhibition of catalytic domain of human recombinant CA IX ChEMBL. 17228881
Ki (binding) = 30 nM Inhibition of human recombinant carbonic anhydrase 9 catalytic domain by stopped flow CO2 hydrase assay ChEMBL. 19193158
Ki (binding) = 36 nM Ki value against human carbonic anhydrase XII (hCA XII) ChEMBL. 15686894
Ki (binding) = 36 nM Ki value against human carbonic anhydrase XII (hCA XII) ChEMBL. 15686894
Ki (binding) = 43 nM Inhibitory activity against human recombinant mitochondrial isozyme CA VA ChEMBL. 16302824
Ki (binding) = 43 nM Inhibitory activity against human recombinant mitochondrial isozyme CA VA ChEMBL. 16302824
Ki (binding) = 60 nM Inhibition of mouse recombinant carbonic anhydrase 15 by stopped flow CO2 hydrase assay ChEMBL. 19193158
Ki (binding) = 70.1 nM Inhibition of recombinant Sulfurihydrogenibium yellowstonense YO3AOP1 carbonic anhydrase by stopped flow CO2 hydrase assay ChEMBL. 26691758
Ki (binding) = 84 nM Inhibition of Helicobacter pylori recombinant CA ChEMBL. 16459077
Ki (binding) = 84 nM Inhibition of Helicobacter pylori recombinant CA ChEMBL. 16459077
Ki (binding) = 105 nM Inhibition of Helicobacter pylori recombinant carbonic anhydrase by stopped-flow CO2 hydrase assay ChEMBL. 16539401
Ki (binding) = 105 nM Inhibition of Helicobacter pylori recombinant carbonic anhydrase by stopped-flow CO2 hydrase assay ChEMBL. 16539401
Ki (binding) = 114 nM Inhibition of full length human recombinant CA VI ChEMBL. 17228881
Ki (binding) = 114 nM Inhibition of full length human recombinant CA VI ChEMBL. 17228881
Ki (binding) = 114 nM Inhibition of human full length recombinant carbonic anhydrase 6 by stopped flow CO2 hydrase assay ChEMBL. 19193158
Ki (binding) = 420 nM Inhibition of recombinant full length Candida glabrata NCE103 expressed in Escherichia coli BL21 preincubated for 15 mins by stopped-flow CO2 hydrase assay ChEMBL. 23511020
Ki (binding) = 565 nM Inhibition of Saccharomyces cerevisiae recombinant CA expressed in Escherichia coli by stopped-flow CO2 hydrase assay ChEMBL. 19124253
Ki (binding) = 690 nM Ki value against human carbonic anhydrase I ChEMBL. 15686895
Ki (binding) = 690 nM Ki value against human carbonic anhydrase I (hCA I) ChEMBL. 15686894
Ki (binding) = 690 nM Inhibition of human recombinant carbonic anhydrase 1 by stopped-flow CO2 hydrase assay ChEMBL. 16539401
Ki (binding) = 690 nM Inhibition of human recombinant CA1 ChEMBL. 16459077
Ki (binding) = 690 nM Inhibition of human recombinant cytosolic isozyme CA I by stopped-flow CO2 hydrase method ChEMBL. 17228881
Ki (binding) = 690 nM Ki value against human carbonic anhydrase I ChEMBL. 15686895
Ki (binding) = 690 nM Ki value against human carbonic anhydrase I (hCA I) ChEMBL. 15686894
Ki (binding) = 690 nM Inhibition of human recombinant carbonic anhydrase 1 by stopped-flow CO2 hydrase assay ChEMBL. 16539401
Ki (binding) = 690 nM Inhibition of human recombinant CA1 ChEMBL. 16459077
Ki (binding) = 690 nM Inhibition of human recombinant cytosolic isozyme CA I by stopped-flow CO2 hydrase method ChEMBL. 17228881
Ki (binding) = 690 nM Inhibition of human recombinant carbonic anhydrase 1 by stopped flow CO2 hydration method ChEMBL. 19317447
Ki (binding) = 690 nM Inhibition of human recombinant CA1 by stopped-flow CO2 hydrase assay ChEMBL. 19124253
Ki (binding) = 690 nM Inhibition of human recombinant carbonic anhydrase 1 by stopped flow CO2 hydrase assay ChEMBL. 19193158
Ki (binding) = 690 nM Inhibition of human recombinant carbonic anhydrase 1 by stopped flow CO2 hydration assay ChEMBL. 19338333
Ki (binding) = 690 nM Inhibition of human recombinant carbonic anhydrase 1 by stopped-flow CO2 hydrase method ChEMBL. 19450983
Ki (binding) = 690 nM Inhibition of human carbonic anhydrase I by spectrophotometry at pH 7.5 ChEMBL. 21251841
Ki (binding) = 690 nM Inhibition of human recombinant carbonic anhydrase 1 at pH 7.5 by stopped flow CO2 hydration assay ChEMBL. 21757360
Ki (binding) = 690 nM Inhibition of human recombinant carbonic anhydrase 1 after 15 mins by stopped flow CO2 hydration assay ChEMBL. 22285172
Ki (binding) = 690 nM Inhibition of recombinant human carbonic anhydrase-1 by stopped flow CO2 hydrase assay ChEMBL. 26691758
Ki (binding) = 792 nM Inhibition of GST-tagged astrosclera willeyana Astrosclerin-3 expressed in Escherichia coli after 15 mins preincubation by stopped flow CO2 hydration assay ChEMBL. 22285172
Ki (binding) = 1293 nM Inhibition of Candida albicans recombinant Nce103 by stopped-flow CO2 hydration assay ChEMBL. 19450983
Ki (binding) = 1293 nM Inhibition of Candida albicans CaNce103 preincubated for 15 mins measured for 10 to 100 sec by stopped-flow method ChEMBL. 22424239
Ki (binding) = 7.48 uM Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase 1 encoded by Rv1284 by stopped flow CO2 hydration assay ChEMBL. 19338333
Ki (binding) = 14.6 uM Inhibition of human recombinant CA 3 assessed as CO2 hydration by stopped flow kinetic assay ChEMBL. 17826101
Ki (binding) = 14.6 uM Inhibition of human recombinant CA 3 assessed as CO2 hydration by stopped flow kinetic assay ChEMBL. 17826101
Kinact (binding) = 12 nM Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay ChEMBL. 17482815
Kinact (binding) = 12 nM Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay ChEMBL. 17482815
Kinact (binding) = 37 nM Inhibition of Helicobacter pylori beta carbonic anhydrase by stopped-flow CO2 hydrase assay ChEMBL. 17482815
Kinact (binding) = 105 nM Inhibition of Helicobacter pylori alpha carbonic anhydrase by stopped-flow CO2 hydrase assay ChEMBL. 17482815
Kinact (binding) = 690 nM Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydrase assay ChEMBL. 17482815
Kinact (binding) = 690 nM Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydrase assay ChEMBL. 17482815
Ratio (binding) 0.3 Selectivity ratio against human carbonic anhydrases II and XII ChEMBL. 15686894
Ratio Ki (binding) = 0.11 Selectivity ratio for human carbonic anhydrase 2 over Helicobacter pylori carbonic anhydrase ChEMBL. 16539401
Ratio Ki (binding) = 0.14 Selectivity for Helicobacter pylori recombinant CA over human recombinant CA2 ChEMBL. 16459077

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

19 literature references were collected for this gene.

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