Detailed information for compound 154216

Basic information

Technical information
  • TDR Targets ID: 154216
  • Name: 4-(1,1-dioxothiazinan-2-yl)benzenesulfonamide
  • MW: 290.359 | Formula: C10H14N2O4S2
  • H donors: 1 H acceptors: 4 LogP: 0.12 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=S1(=O)CCCCN1c1ccc(cc1)S(=O)(=O)N
  • InChi: 1S/C10H14N2O4S2/c11-18(15,16)10-5-3-9(4-6-10)12-7-1-2-8-17(12,13)14/h3-6H,1-2,7-8H2,(H2,11,15,16)
  • InChiKey: HMHVCUVYZFYAJI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-(1,1-dioxo-2-thiazinanyl)benzenesulfonamide
  • 4-(1,1-dioxo-1,2-thiazinan-2-yl)benzenesulfonamide
  • 4-(1,1-diketothiazinan-2-yl)benzenesulfonamide
  • sulthiame
  • 61-56-3
  • 4-(1,1-dioxido-1,2-thiazinan-2-yl)benzenesulfonamide
  • D01787
  • Ospolot (TN)
  • Sulthiame (USAN)
  • Sultiame (JP15)
  • 2-(4-Sulfamoylphenyl)-1,2-thiazixan 1,1-dioxid
  • 2-(p-Sulfamoylphenyl)-tetrahydro-2H-1,2-thiazine 1,1-dioxide
  • 2H-1,2-Thiazine, tetrahydro-2-(p-sulfamoylphenyl)-, 1,1-dioxide
  • BRN 1222219
  • Bayer A-168
  • Benzenesulfonamide, 4-(tetrahydro-2H-1,2-thiazin-2-yl)-, S,S-dioxide
  • Benzenesulfonamide, p-(tetrahydro-2H-1,2-thiazin-2-yl)-, dioxide
  • Conadil
  • Contravul
  • EINECS 200-511-0
  • Elisal
  • Ospolot
  • R-594
  • RP 10284
  • RP-10284
  • Riker 594
  • Sulphenyltame
  • Sulthiame [USAN:BAN]
  • Sulthiamine
  • Sultiame
  • Sultiamo [INN-Spanish]
  • Sultiamum
  • Sultiamum [INN-Latin]
  • Trolone
  • p-(Tetrahydro-2H-1,2-thiazin-2-yl)benzenesulfonamide, S,S-dioxide
  • OSP

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens carbonic anhydrase IX Starlite/ChEMBL References
Candida albicans Involved in protection against oxidative damage Starlite/ChEMBL References
Stylophora pistillata Carbonic anhydrase Starlite/ChEMBL References
Thalassiosira weissflogii Delta carbonic anhydrase Starlite/ChEMBL References
Stylophora pistillata Alpha carbonic anhydrase Starlite/ChEMBL References
Homo sapiens carbonic anhydrase I Starlite/ChEMBL References
Sulfurihydrogenibium sp. (strain YO3AOP1) Carbonate dehydratase Starlite/ChEMBL References
Mus musculus carbonic anhydrase 15 Starlite/ChEMBL References
Thiomicrospira crunogena (strain XCL-2) Carbonic anhydrase, alpha family Starlite/ChEMBL References
Anopheles gambiae AGAP002992-PA Starlite/ChEMBL References
Mycobacterium tuberculosis Beta-carbonic anhydrase References
Mycobacterium tuberculosis Beta-carbonic anhydrase CanB References
Astrosclera willeyana Astrosclerin-3 Starlite/ChEMBL References
Homo sapiens nuclear factor of kappa light polypeptide gene enhancer in B-cells 1 Starlite/ChEMBL No references
Saccharomyces cerevisiae carbonate dehydratase NCE103 Starlite/ChEMBL References
Homo sapiens carbonic anhydrase VI Starlite/ChEMBL References
Homo sapiens carbonic anhydrase II Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania infantum carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Mycobacterium ulcerans carbonic anhydrase 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
Leishmania major carbonic anhydrase family protein, putative Get druggable targets OG5_127503 All targets in OG5_127503
Mycobacterium ulcerans carbonic anhydrase 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
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
Schistosoma mansoni carbonic anhydrase Get druggable targets OG5_127503 All targets in OG5_127503
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase Get druggable targets OG5_127628 All targets in OG5_127628
Leishmania mexicana 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
Leishmania braziliensis carbonic anhydrase family protein, putative Get druggable targets OG5_127503 All targets in OG5_127503
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
Trypanosoma congolense 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
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
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
Loa Loa (eye worm) carbonic anhydrase 3 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
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 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
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 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
Brugia malayi Putative carbonic anhydrase 5 precursor 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
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
Leishmania donovani carbonic anhydrase-like protein 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 family protein, putative Get druggable targets OG5_127503 All targets in OG5_127503
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma japonicum ko:K01672 carbonic anhydrase [EC4.2.1.1], putative Alpha carbonic anhydrase   323 aa 286 aa 34.6 %
Leishmania infantum carbonic anhydrase-like protein Astrosclerin-3   292 aa 287 aa 25.4 %
Loa Loa (eye worm) hypothetical protein Astrosclerin-3   292 aa 258 aa 25.2 %
Schistosoma japonicum ko:K01672 carbonic anhydrase [EC4.2.1.1], putative Carbonic anhydrase   316 aa 285 aa 31.2 %
Leishmania mexicana carbonic anhydrase-like protein Astrosclerin-3   292 aa 283 aa 24.7 %
Brugia malayi Carbonic anhydrase like protein 2 precursor Carbonic anhydrase   316 aa 290 aa 27.2 %
Brugia malayi Carbonic anhydrase like protein 2 precursor carbonic anhydrase II 260 aa 259 aa 32.0 %
Leishmania major carbonic anhydrase-like protein Astrosclerin-3   292 aa 302 aa 24.8 %
Loa Loa (eye worm) hypothetical protein Carbonate dehydratase   246 aa 230 aa 28.7 %
Trypanosoma cruzi carbonic anhydrase-like protein, putative Astrosclerin-3   292 aa 293 aa 27.0 %
Schistosoma mansoni carbonic anhydrase-related Astrosclerin-3   292 aa 244 aa 24.6 %
Trypanosoma congolense carbonic anhydrase-like protein Astrosclerin-3   292 aa 272 aa 24.3 %
Trypanosoma brucei carbonic anhydrase-like protein carbonic anhydrase VI 308 aa 280 aa 27.9 %
Echinococcus multilocularis carbonic anhydrase Carbonic anhydrase   316 aa 317 aa 26.8 %
Echinococcus granulosus carbonic anhydrase Carbonic anhydrase   316 aa 322 aa 27.0 %
Onchocerca volvulus Neprilysin-2 homolog Carbonate dehydratase   246 aa 230 aa 29.1 %
Trypanosoma cruzi carbonic anhydrase-like protein, putative carbonic anhydrase 15 324 aa 263 aa 27.8 %
Echinococcus granulosus carbonic anhydrase Alpha carbonic anhydrase   323 aa 261 aa 30.7 %
Echinococcus granulosus carbonic anhydrase Alpha carbonic anhydrase   323 aa 279 aa 30.1 %
Trypanosoma brucei carbonic anhydrase-like protein carbonic anhydrase I 261 aa 281 aa 25.3 %
Schistosoma mansoni carbonic anhydrase-related Carbonic anhydrase   316 aa 292 aa 32.9 %
Onchocerca volvulus Carbonic anhydrase   316 aa 288 aa 26.7 %
Echinococcus granulosus carbonic anhydrase II Astrosclerin-3   292 aa 236 aa 30.1 %
Loa Loa (eye worm) hypothetical protein Carbonic anhydrase   316 aa 299 aa 26.8 %
Onchocerca volvulus 40S ribosomal protein S23 homolog Astrosclerin-3   292 aa 259 aa 26.3 %
Brugia malayi Eukaryotic-type carbonic anhydrase family protein Astrosclerin-3   292 aa 256 aa 27.0 %
Mycobacterium tuberculosis Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase) AGAP002992-PA   255 aa 226 aa 31.9 %
Echinococcus multilocularis carbonic anhydrase Alpha carbonic anhydrase   323 aa 279 aa 29.7 %
Schistosoma japonicum Carbonic anhydrase-related protein 10, putative Astrosclerin-3   292 aa 235 aa 28.1 %
Onchocerca volvulus Astrosclerin-3   292 aa 258 aa 25.6 %
Echinococcus multilocularis carbonic anhydrase II Astrosclerin-3   292 aa 236 aa 29.7 %
Leishmania braziliensis carbonic anhydrase-like protein Astrosclerin-3   292 aa 320 aa 25.9 %
Drosophila melanogaster Carbonic anhydrase 1 Carbonate dehydratase   246 aa 233 aa 32.6 %
Leishmania donovani carbonic anhydrase-like protein Astrosclerin-3   292 aa 287 aa 25.4 %
Echinococcus multilocularis carbonic anhydrase Carbonic anhydrase   316 aa 302 aa 24.8 %
Trypanosoma congolense carbonic anhydrase-like protein Astrosclerin-3   292 aa 272 aa 24.3 %
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase Astrosclerin-3   292 aa 247 aa 28.3 %
Schistosoma mansoni carbonic anhydrase Astrosclerin-3   292 aa 269 aa 23.4 %
Onchocerca volvulus Oxysterol-binding protein homolog Astrosclerin-3   292 aa 272 aa 33.1 %
Drosophila melanogaster CG18673 gene product from transcript CG18673-RC Astrosclerin-3   292 aa 246 aa 28.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0904 0.5647 1
Trichomonas vaginalis conserved hypothetical protein 0.1532 1 0.5
Plasmodium falciparum carbonic anhydrase 0.0336 0.1709 0.5
Echinococcus multilocularis carbonic anhydrase 0.0336 0.1709 0.3027
Echinococcus multilocularis carbonic anhydrase 0.0336 0.1709 0.3027
Mycobacterium tuberculosis Beta-carbonic anhydrase 0.1175 0.7525 1
Echinococcus granulosus carbonic anhydrase 0.0336 0.1709 0.3027
Echinococcus granulosus carbonic anhydrase 0.0336 0.1709 0.3027
Leishmania major carbonic anhydrase family protein, putative 0.1138 0.7273 1
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0904 0.5647 1
Mycobacterium leprae CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) 0.1138 0.7273 0.5
Mycobacterium tuberculosis Beta-carbonic anhydrase CanB 0.0781 0.4798 0.5187
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0904 0.5647 0.7077
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0904 0.5647 0.5
Echinococcus granulosus carbonic anhydrase 0.0336 0.1709 0.3027
Toxoplasma gondii hypothetical protein 0.0336 0.1709 0.5
Trypanosoma brucei carbonic anhydrase-like protein 0.0904 0.5647 0.5
Echinococcus multilocularis carbonic anhydrase II 0.0904 0.5647 1
Loa Loa (eye worm) carbonic anhydrase 3 0.0904 0.5647 1
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0904 0.5647 0.5
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0904 0.5647 1
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0904 0.5647 0.7077
Schistosoma mansoni carbonic anhydrase 0.1138 0.7273 1
Entamoeba histolytica carbonic anhydrase, putative 0.1138 0.7273 0.5
Echinococcus granulosus carbonic anhydrase II 0.0904 0.5647 1
Trichomonas vaginalis conserved hypothetical protein 0.1532 1 0.5
Echinococcus multilocularis carbonic anhydrase 0.0336 0.1709 0.3027

Activities

Activity type Activity value Assay description Source Reference
Anticonvulsant activity (functional) 0 Virtual screen for compounds with anticonvulsant activity ChEMBL. 12873507
Ki (binding) Inhibition of human recombinant CA6 by stopped-flow CO2 hydration assay ChEMBL. 21208801
Ki (binding) = 0.664 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) = 7.8 nM Inhibition of recombinant Sulfurihydrogenibium yellowstonense YO3AOP1 carbonic anhydrase by stopped flow CO2 hydrase assay ChEMBL. 26691758
Ki (binding) = 9 nM Inhibition of human recombinant carbonic anhydrase 2 by stopped flow CO2 hydration method ChEMBL. 19317447
Ki (binding) = 9 nM Inhibition of human recombinant CA2 by stopped-flow CO2 hydrase assay ChEMBL. 19124253
Ki (binding) = 9 nM Inhibition of human recombinant carbonic anhydrase 2 by stopped flow CO2 hydrase assay ChEMBL. 19193158
Ki (binding) = 9 nM Inhibition of human recombinant carbonic anhydrase 2 by stopped flow CO2 hydration assay ChEMBL. 19338333
Ki (binding) = 9 nM Inhibition of Helicobacter pylori beta-carbonic anhydrase by stopped-flow CO2 hydration assay ChEMBL. 19450983
Ki (binding) = 9 nM Inhibition of human recombinant CA2 by stopped-flow CO2 assay ChEMBL. 19520577
Ki (binding) = 9 nM Inhibition of human recombinant CA2 by stopped-flow hydration assay ChEMBL. 19846301
Ki (binding) = 9 nM Inhibition of human recombinant CA2 by stopped-flow CO2 hydration assay ChEMBL. 21208801
Ki (binding) = 9 nM Inhibition of human recombinant carbonic anhydrase 2 at pH 7.5 by stopped flow CO2 hydration assay ChEMBL. 21757360
Ki (binding) = 9 nM Inhibition of human recombinant carbonic anhydrase 2 after 15 mins by stopped flow CO2 hydration assay ChEMBL. 22285172
Ki (binding) = 9 nM Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay ChEMBL. 23181552
Ki (binding) = 9 nM Inhibition of human recombinant carbonic anhydrase 2 by stopped flow CO2 hydration assay ChEMBL. 23391336
Ki (binding) = 9 nM Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay ChEMBL. 22883029
Ki (binding) = 9 nM Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay ChEMBL. 24314394
Ki (binding) = 9 nM Inhibition of human carbonic anhydrase-2 by stopped-flow CO2 hydration assay ChEMBL. 24792813
Ki (binding) = 9 nM Inhibition of human recombinant Carbonic anhydrase 2 compound preincubated for 15 mins by stopped flow CO2 hydrase assay method ChEMBL. 25129169
Ki (binding) = 9 nM Inhibition of human recombinant carbonic anhydrase 2 by stopped-flow CO2 hydration assay ChEMBL. 25533402
Ki (binding) = 9 nM Inhibition of human recombinant carbonic anhydrase 2 by stopped flow CO2 hydrase assay ChEMBL. 25773015
Ki (binding) = 9 nM Inhibition of human carbonic anhydrase 2 pre-incubated for 15 mins by stopped-flow CO2 hydration assay ChEMBL. 25882523
Ki (binding) = 9 nM Inhibition of human recombinant carbonic anhydrase-2 by stopped flow CO2 hydrase assay method ChEMBL. 26174556
Ki (binding) = 9 nM Inhibition of human CA2 incubated for 15 mins prior to testing by stopped flow CO2 hydrase assay ChEMBL. 26525863
Ki (binding) = 9 nM Inhibition of recombinant human carbonic anhydrase-2 by stopped flow CO2 hydrase assay ChEMBL. 26691758
Ki (binding) = 9 nM Inhibition of human Carbonic anhydrase2 using CO2 as substrate preincubated for 15 mins by stopped-flow CO2 hydration assay ChEMBL. 26850377
Ki (binding) = 9 nM Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by CO2 hydrase stopped flow assay ChEMBL. 26832216
Ki (binding) = 9 nM Inhibition of human carbonic anhydrase 2 incubated for 15 mins by stopped-flow CO2 hydration assay ChEMBL. 26920803
Ki (binding) = 43 nM Inhibition of human recombinant carbonic anhydrase 9 catalytic domain by stopped flow CO2 hydrase assay ChEMBL. 19193158
Ki (binding) = 45.2 nM Inhibition of cloned Stylophora pistillata alpha-CA expressed in human HEK293 cells by stopped-flow CO2 assay ChEMBL. 19520577
Ki (binding) = 45.2 nM Inhibition of Stylophora pistillata carbonic anhydrase by stopped-flow CO2 hydration assay ChEMBL. 21208801
Ki (binding) = 65 nM Inhibition of mouse recombinant carbonic anhydrase 15 by stopped flow CO2 hydrase assay ChEMBL. 19193158
Ki (binding) = 123 nM Inhibition of Stylophora pistillata carbonic anhydrase 2 by stopped-flow CO2 hydration assay ChEMBL. 21208801
Ki (binding) = 134 nM Inhibition of human full length recombinant carbonic anhydrase 6 by stopped flow CO2 hydrase assay ChEMBL. 19193158
Ki (binding) = 169 nM Inhibition of Thalassiosira weissflogii delta carbonic anhydrase preincubated for 15 mins by stopped flow CO2 hydration assay ChEMBL. 24314394
Ki (binding) = 265 nM Inhibition of Anopheles gambiae carbonic anhydrase pre-incubated for 15 mins by stopped-flow CO2 hydration assay ChEMBL. 25882523
Ki (binding) = 276 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) = 374 nM Inhibition of human recombinant carbonic anhydrase 1 by stopped flow CO2 hydration method ChEMBL. 19317447
Ki (binding) = 374 nM Inhibition of human recombinant CA1 by stopped-flow CO2 hydrase assay ChEMBL. 19124253
Ki (binding) = 374 nM Inhibition of human recombinant carbonic anhydrase 1 by stopped flow CO2 hydrase assay ChEMBL. 19193158
Ki (binding) = 374 nM Inhibition of human recombinant carbonic anhydrase 1 by stopped flow CO2 hydration assay ChEMBL. 19338333
Ki (binding) = 374 nM Inhibition of human recombinant carbonic anhydrase 1 by stopped-flow CO2 hydrase method ChEMBL. 19450983
Ki (binding) = 374 nM Inhibition of human recombinant CA1 by stopped-flow CO2 assay ChEMBL. 19520577
Ki (binding) = 374 nM Inhibition of human recombinant CA1 by stopped-flow CO2 hydration assay ChEMBL. 21208801
Ki (binding) = 374 nM Inhibition of human recombinant carbonic anhydrase 1 at pH 7.5 by stopped flow CO2 hydration assay ChEMBL. 21757360
Ki (binding) = 374 nM Inhibition of human recombinant carbonic anhydrase 1 after 15 mins by stopped flow CO2 hydration assay ChEMBL. 22285172
Ki (binding) = 374 nM Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase assay ChEMBL. 23181552
Ki (binding) = 374 nM Inhibition of human recombinant carbonic anhydrase 1 by stopped flow CO2 hydration assay ChEMBL. 23391336
Ki (binding) = 374 nM Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration stopped-flow assay ChEMBL. 22883029
Ki (binding) = 374 nM Inhibition of human carbonic anhydrase-1 by stopped-flow CO2 hydration assay ChEMBL. 24792813
Ki (binding) = 374 nM Inhibition of human recombinant Carbonic anhydrase 1 compound preincubated for 15 mins by stopped flow CO2 hydrase assay method ChEMBL. 25129169
Ki (binding) = 374 nM Inhibition of human recombinant carbonic anhydrase 1 by stopped-flow CO2 hydration assay ChEMBL. 25533402
Ki (binding) = 374 nM Inhibition of human recombinant carbonic anhydrase 1 by stopped flow CO2 hydrase assay ChEMBL. 25773015
Ki (binding) = 374 nM Inhibition of human carbonic anhydrase 1 pre-incubated for 15 mins by stopped-flow CO2 hydration assay ChEMBL. 25882523
Ki (binding) = 374 nM Inhibition of human CA1 incubated for 15 mins prior to testing by stopped flow CO2 hydrase assay ChEMBL. 26525863
Ki (binding) = 374 nM Inhibition of recombinant human carbonic anhydrase-1 by stopped flow CO2 hydrase assay ChEMBL. 26691758
Ki (binding) = 374 nM Inhibition of human Carbonic anhydrase1 using CO2 as substrate preincubated for 15 mins by stopped-flow CO2 hydration assay ChEMBL. 26850377
Ki (binding) = 374 nM Inhibition of human carbonic anhydrase 1 incubated for 15 mins by stopped-flow CO2 hydration assay ChEMBL. 26920803
Ki (binding) = 432 nM Inhibition of recombinant Thiomicrospira crunogena XCL-2 carbonic anhydrase by stopped flow CO2 hydrase assay ChEMBL. 26691758
Ki (binding) = 1020 nM Inhibition of Saccharomyces cerevisiae recombinant CA expressed in Escherichia coli by stopped-flow CO2 hydrase assay ChEMBL. 19124253
Ki (binding) = 1071 nM Inhibition of Candida albicans recombinant Nce103 by stopped-flow CO2 hydration assay ChEMBL. 19450983
Ki (binding) = 5.16 uM Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase 1 encoded by Rv1284 by stopped flow CO2 hydration assay ChEMBL. 19338333
Kinact (binding) = 6.3 10^5nM Inhibition of human recombinant full length CA3 by stopped-flow technique ChEMBL. 17588751
Kinact (binding) = 6.3 10^5nM Inhibition of human recombinant full length CA3 by stopped-flow technique ChEMBL. 17588751
Kinact (binding) = 6 nM Inhibition of human recombinant full length CA7 by stopped-flow technique ChEMBL. 17588751
Kinact (binding) = 6 nM Inhibition of human recombinant full length CA7 by stopped-flow technique ChEMBL. 17588751
Kinact (binding) = 7 nM Inhibition of human recombinant full length CA2 by stopped-flow technique ChEMBL. 17588751
Kinact (binding) = 7 nM Inhibition of human recombinant full length CA2 by stopped-flow technique ChEMBL. 17588751
Kinact (binding) = 43 nM Inhibition of human recombinant catalytic domain CA9 by stopped-flow technique ChEMBL. 17588751
Kinact (binding) = 43 nM Inhibition of human recombinant catalytic domain CA9 by stopped-flow technique ChEMBL. 17588751
Kinact (binding) = 56 nM Inhibition of human recombinant catalytic domain CA12 by stopped-flow technique ChEMBL. 17588751
Kinact (binding) = 56 nM Inhibition of human recombinant catalytic domain CA12 by stopped-flow technique ChEMBL. 17588751
Kinact (binding) = 81 nM Inhibition of human recombinant full length CA5A by stopped-flow technique ChEMBL. 17588751
Kinact (binding) = 81 nM Inhibition of human recombinant full length CA5A by stopped-flow technique ChEMBL. 17588751
Kinact (binding) = 91 nM Inhibition of human recombinant full length CA5B by stopped-flow technique ChEMBL. 17588751
Kinact (binding) = 91 nM Inhibition of human recombinant full length CA5B by stopped-flow technique ChEMBL. 17588751
Kinact (binding) = 95 nM Inhibition of human recombinant full length CA4 by stopped-flow technique ChEMBL. 17588751
Kinact (binding) = 95 nM Inhibition of human recombinant full length CA4 by stopped-flow technique ChEMBL. 17588751
Kinact (binding) = 134 nM Inhibition of human recombinant full length CA6 by stopped-flow technique ChEMBL. 17588751
Kinact (binding) = 134 nM Inhibition of human recombinant full length CA6 by stopped-flow technique ChEMBL. 17588751
Kinact (binding) = 374 nM Inhibition of human recombinant full length CA1 by stopped-flow technique ChEMBL. 17588751
Kinact (binding) = 374 nM Inhibition of human recombinant full length CA1 by stopped-flow technique ChEMBL. 17588751
Kinact (binding) = 1450 nM Inhibition of mouse recombinant full length CA13 by stopped-flow technique ChEMBL. 17588751
Kinact (binding) = 1450 nM Inhibition of mouse recombinant full length CA13 by stopped-flow technique ChEMBL. 17588751
Kinact (binding) = 1540 nM Inhibition of human recombinant full length CA14 by stopped-flow technique ChEMBL. 17588751
Kinact (binding) = 1540 nM Inhibition of human recombinant full length CA14 by stopped-flow technique ChEMBL. 17588751
Potency (functional) 9.5205 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule agonists of the NFkB signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference

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

27 literature references were collected for this gene.

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