Detailed information for compound 955529

Basic information

Technical information
  • TDR Targets ID: 955529
  • Name: 3-(4-sulfamoylphenyl)propanoic acid
  • MW: 229.253 | Formula: C9H11NO4S
  • H donors: 2 H acceptors: 4 LogP: 0.24 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)CCc1ccc(cc1)S(=O)(=O)N
  • InChi: 1S/C9H11NO4S/c10-15(13,14)8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6H2,(H,11,12)(H2,10,13,14)
  • InChiKey: JUEONDBIBADVGD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-(4-sulfamoylphenyl)propionic acid
  • SBB011591
  • M28
  • 3-(4-Sulfamoyl-phenyl)-propionic acid
  • BAS 12384209

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens carbonic anhydrase I Starlite/ChEMBL References
Homo sapiens carbonic anhydrase II Starlite/ChEMBL References
Stylophora pistillata Alpha carbonic anhydrase Starlite/ChEMBL References
Stylophora pistillata Carbonic anhydrase Starlite/ChEMBL References
Candida albicans Involved in protection against oxidative damage Starlite/ChEMBL References
Saccharomyces cerevisiae carbonate dehydratase NCE103 Starlite/ChEMBL References
Mycobacterium tuberculosis Beta-carbonic anhydrase References
Candida glabrata CBS 138 Carbonic anhydrase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) Get druggable targets OG5_127628 All targets in OG5_127628
Schistosoma mansoni carbonic anhydrase Get druggable targets OG5_127503 All targets in OG5_127503
Trypanosoma brucei gambiense 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
Schistosoma japonicum ko:K01672 carbonic anhydrase [EC4.2.1.1], putative Get druggable targets OG5_127628 All targets in OG5_127628
Leishmania major 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 infantum 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
Candida albicans hypothetical protein Get druggable targets OG5_135410 All targets in OG5_135410
Mycobacterium ulcerans carbonic anhydrase Get druggable targets OG5_127503 All targets in OG5_127503
Mycobacterium ulcerans carbonic anhydrase Get druggable targets OG5_135410 All targets in OG5_135410
Entamoeba histolytica carbonic anhydrase, putative Get druggable targets OG5_127503 All targets in OG5_127503
Leishmania mexicana carbonic anhydrase family protein, putative Get druggable targets OG5_127503 All targets in OG5_127503
Trypanosoma cruzi carbonic anhydrase-like protein, putative Get druggable targets OG5_127628 All targets in OG5_127628
Leishmania braziliensis carbonic anhydrase family protein, putative Get druggable targets OG5_127503 All targets in OG5_127503
Candida albicans Involved in protection against oxidative damage Get druggable targets OG5_127503 All targets in OG5_127503
Leishmania donovani carbonic anhydrase family protein, putative 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
Schistosoma japonicum ko:K01672 carbonic anhydrase [EC4.2.1.1], putative Get druggable targets OG5_127503 All targets in OG5_127503
Candida albicans Involved in protection against oxidative damage Get druggable targets OG5_127503 All targets in OG5_127503
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 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
Candida albicans hypothetical protein 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
Leishmania braziliensis 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
Echinococcus granulosus carbonic anhydrase II 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
Trypanosoma congolense carbonic anhydrase-like protein 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
Brugia malayi Putative carbonic anhydrase 5 precursor Get druggable targets OG5_127628 All targets in OG5_127628
Leishmania infantum carbonic anhydrase family protein, putative Get druggable targets OG5_127503 All targets in OG5_127503
Trypanosoma brucei carbonic anhydrase-like 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
Leishmania donovani carbonic anhydrase-like 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
Mycobacterium leprae CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) 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
Echinococcus granulosus carbonic anhydrase Alpha carbonic anhydrase   323 aa 261 aa 30.7 %
Echinococcus multilocularis carbonic anhydrase Alpha carbonic anhydrase   323 aa 279 aa 29.7 %
Echinococcus multilocularis carbonic anhydrase Carbonic anhydrase   316 aa 317 aa 26.8 %
Echinococcus granulosus carbonic anhydrase Alpha carbonic anhydrase   323 aa 279 aa 30.1 %
Brugia malayi Carbonic anhydrase like protein 2 precursor Carbonic anhydrase   316 aa 290 aa 27.2 %
Echinococcus granulosus carbonic anhydrase Carbonic anhydrase   316 aa 322 aa 27.0 %
Brugia malayi Carbonic anhydrase like protein 2 precursor carbonic anhydrase II 260 aa 259 aa 32.0 %
Schistosoma japonicum ko:K01672 carbonic anhydrase [EC4.2.1.1], putative Carbonic anhydrase   316 aa 285 aa 31.2 %
Loa Loa (eye worm) hypothetical protein Carbonic anhydrase   316 aa 299 aa 26.8 %
Schistosoma mansoni carbonic anhydrase-related Carbonic anhydrase   316 aa 292 aa 32.9 %
Onchocerca volvulus Carbonic anhydrase   316 aa 288 aa 26.7 %
Mycobacterium tuberculosis Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase) Carbonic anhydrase   219 aa 199 aa 25.6 %
Schistosoma japonicum ko:K01672 carbonic anhydrase [EC4.2.1.1], putative Alpha carbonic anhydrase   323 aa 286 aa 34.6 %
Trypanosoma brucei carbonic anhydrase-like protein carbonic anhydrase I 261 aa 281 aa 25.3 %
Echinococcus multilocularis carbonic anhydrase Carbonic anhydrase   316 aa 302 aa 24.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi cAMP phosphodiesterase A, putative 0.0141 0.0332 0.0657
Brugia malayi Eukaryotic translation initiation factor 4E type 3, putative 0.0098 0.003 0.0036
Giardia lamblia hypothetical protein 0.0098 0.003 1
Echinococcus granulosus carbonic anhydrase 0.0134 0.0283 0.0559
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0134 0.0283 0.034
Echinococcus multilocularis carbonic anhydrase 0.0134 0.0283 0.0559
Entamoeba histolytica eukaryotic translation initiation factor 4E, putative 0.0821 0.5055 0.9929
Loa Loa (eye worm) hypothetical protein 0.0134 0.0283 0.0306
Trypanosoma cruzi Eukaryotic translation initiation factor 4E type 5, putative 0.0098 0.003 0.0059
Trypanosoma brucei cAMP phosphodiesterase A, putative 0.0141 0.0332 0.0657
Echinococcus granulosus calcium:calmodulin dependent 3'5' cyclic 0.0141 0.0332 0.0657
Trypanosoma brucei Eukaryotic translation initiation factor 4E-4 0.0098 0.003 0.0059
Trypanosoma cruzi Eukaryotic translation initiation factor 4E-4 0.0098 0.003 0.0059
Plasmodium vivax translation initiation factor 4E, putative 0.0098 0.003 0.0892
Schistosoma mansoni hypothetical protein 0.0134 0.0283 0.0555
Echinococcus multilocularis eukaryotic translation initiation factor 4E 0.0821 0.5055 1
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0098 0.003 0.003
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0134 0.0283 0.034
Leishmania major carbonic anhydrase-like protein 0.0475 0.2653 0.521
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0475 0.2653 0.3195
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0475 0.2653 0.317
Echinococcus multilocularis calcium:calmodulin dependent 3',5' cyclic 0.0141 0.0332 0.0657
Trichomonas vaginalis conserved hypothetical protein 0.0098 0.003 0.003
Trypanosoma brucei cAMP-specific phosphodiesterase, putative 0.0269 0.1219 0.2411
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0098 0.003 0.003
Leishmania major eukaryotic translation initiation factor eIF-4E, putative 0.0821 0.5055 0.9929
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0821 0.5055 0.5055
Schistosoma mansoni carbonic anhydrase-related 0.0134 0.0283 0.0555
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0141 0.0332 0.0657
Toxoplasma gondii eukaryotic initiation factor-4E, putative 0.0098 0.003 0.0059
Schistosoma mansoni carbonic anhydrase-related 0.0134 0.0283 0.0555
Loa Loa (eye worm) hypothetical protein 0.1232 0.7916 0.9531
Trypanosoma cruzi Eukaryotic translation initiation factor 4E-1 0.0821 0.5055 1
Echinococcus granulosus carbonic anhydrase 0.0134 0.0283 0.0559
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0134 0.0283 0.0306
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0098 0.003 0.003
Mycobacterium tuberculosis Beta-carbonic anhydrase CanB 0.0469 0.2608 0.1365
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0821 0.5055 0.5055
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0821 0.5055 0.5055
Trypanosoma brucei Eukaryotic translation initiation factor 4E-2 0.0098 0.003 0.0059
Trichomonas vaginalis conserved hypothetical protein 0.1532 1 1
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0098 0.003 0.003
Brugia malayi Probable 3',5'-cyclic phosphodiesterase T04D3.3, putative 0.0141 0.0332 0.04
Loa Loa (eye worm) translation initiation factor 4E 0.0821 0.5055 0.6074
Loa Loa (eye worm) PDE1B protein 0.0141 0.0332 0.0366
Trypanosoma brucei carbonic anhydrase-like protein 0.0475 0.2653 0.5248
Leishmania major carbonic anhydrase family protein, putative 0.0826 0.5091 1
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0098 0.003 0.003
Trichomonas vaginalis eukaryotic translation initiation factor 4E type, putative 0.0098 0.003 0.003
Trypanosoma brucei Eukaryotic translation initiation factor 4E-3 0.0098 0.003 0.0059
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0134 0.0283 0.034
Plasmodium falciparum eukaryotic translation initiation factor 4E, putative 0.0098 0.003 0.1048
Echinococcus granulosus calcium:calmodulin dependent 3'5' cyclic 0.0141 0.0332 0.0657
Toxoplasma gondii hypothetical protein 0.0134 0.0283 0.0559
Mycobacterium tuberculosis Beta-carbonic anhydrase 0.1175 0.7517 1
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0475 0.2653 0.521
Trypanosoma cruzi eukaryotic translation initiation factor 4E (eIF4E) interacting protein, putative 0.0098 0.003 0.0059
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.1288 0.8304 1
Trypanosoma cruzi eukaryotic translation initiation factor 4E (eIF4E) interacting protein, putative 0.0098 0.003 0.0059
Leishmania major cAMP-specific phosphodiesterase, putative 0.0269 0.1219 0.2394
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0134 0.0283 0.034
Leishmania major eukaryotic translation initiation factor 4e, putative 0.0098 0.003 0.0058
Onchocerca volvulus Putative eukaryotic translation initiation factor 4e 0.0098 0.003 1
Brugia malayi translation initiation factor 4E 0.0821 0.5055 0.6088
Trichomonas vaginalis eukaryotic translation initiation factor 4E type, putative 0.0098 0.003 0.003
Schistosoma mansoni carbonic anhydrase 0.0134 0.0283 0.0555
Leishmania major cAMP phosphodiesterase A, putative;with=GeneDB:LinJ18_V3.1100 0.0141 0.0332 0.0653
Brugia malayi eukaryotic translation initiation factor 4E-1 0.0098 0.003 0.0036
Giardia lamblia Hypothetical protein 0.0098 0.003 1
Loa Loa (eye worm) hypothetical protein 0.0134 0.0283 0.0306
Trichomonas vaginalis conserved hypothetical protein 0.0098 0.003 0.003
Echinococcus granulosus eukaryotic translation initiation factor 4E type 0.0098 0.003 0.0059
Entamoeba histolytica eukaryotic translation initiation factor 4E, putative 0.0821 0.5055 0.9929
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0141 0.0332 0.0657
Loa Loa (eye worm) carbonic anhydrase 3 0.0475 0.2653 0.317
Trichomonas vaginalis conserved hypothetical protein 0.0098 0.003 0.003
Loa Loa (eye worm) hypothetical protein 0.0134 0.0283 0.0306
Schistosoma mansoni carbonic anhydrase-related 0.0134 0.0283 0.0555
Plasmodium vivax hypothetical protein, conserved 0.0098 0.003 0.0892
Echinococcus multilocularis carbonic anhydrase 0.0134 0.0283 0.0559
Plasmodium falciparum carbonic anhydrase 0.0134 0.0283 1
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0821 0.5055 0.5055
Schistosoma mansoni eukaryotic translation initiation factor 4e 0.0821 0.5055 0.9929
Trichomonas vaginalis eukaryotic translation initiation factor 4E type, putative 0.0098 0.003 0.003
Echinococcus granulosus eukaryotic translation initiation factor 4E 0.0821 0.5055 1
Trypanosoma brucei Eukaryotic translation initiation factor 4E-1 0.0821 0.5055 1
Schistosoma mansoni calcium/calmodulin-dependent 35-cyclic nucleotide phosphodiesterase 0.0141 0.0332 0.0653
Echinococcus multilocularis carbonic anhydrase II 0.0475 0.2653 0.5248
Entamoeba histolytica carbonic anhydrase, putative 0.0826 0.5091 1
Toxoplasma gondii hypothetical protein 0.0098 0.003 0.0059
Plasmodium falciparum eukaryotic translation initiation factor 4E 0.0098 0.003 0.1048
Trypanosoma cruzi Eukaryotic translation initiation factor 4E-1 0.0821 0.5055 1
Schistosoma mansoni carbonic anhydrase 0.0826 0.5091 1
Leishmania major hypothetical protein, conserved 0.0098 0.003 0.0058
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0134 0.0283 0.034
Trichomonas vaginalis hypothetical protein 0.0098 0.003 0.003
Trichomonas vaginalis eukaryotic translation initiation factor 4E type, putative 0.0098 0.003 0.003
Trypanosoma cruzi cAMP phosphodiesterase A, putative 0.0141 0.0332 0.0657
Trichomonas vaginalis eukaryotic translation initiation factor 4E type, putative 0.0098 0.003 0.003
Loa Loa (eye worm) hypothetical protein 0.1288 0.8304 1
Echinococcus granulosus carbonic anhydrase II 0.0475 0.2653 0.5248
Leishmania major hypothetical protein, conserved 0.0098 0.003 0.0058
Giardia lamblia Translation elongation factor 0.0098 0.003 1
Leishmania major eukaryotic translation initiation factor, putative 0.0098 0.003 0.0058
Plasmodium vivax 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0141 0.0332 1
Trypanosoma cruzi Eukaryotic translation initiation factor 4E type 5, putative 0.0098 0.003 0.0059
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0475 0.2653 0.5248
Echinococcus multilocularis carbonic anhydrase 0.0134 0.0283 0.0559
Echinococcus multilocularis calcium:calmodulin dependent 3',5' cyclic 0.0141 0.0332 0.0657
Trichomonas vaginalis conserved hypothetical protein 0.1532 1 1
Trypanosoma cruzi cAMP-specific phosphodiesterase, putative 0.0269 0.1219 0.2411
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0098 0.003 0.003
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0098 0.003 0.003
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0475 0.2653 0.3195
Leishmania major eukaryotic translation initiation factor-like protein 0.0821 0.5055 0.9929
Mycobacterium leprae CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) 0.0826 0.5091 0.5
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0098 0.003 0.003
Trypanosoma cruzi Eukaryotic translation initiation factor 4E-4 0.0098 0.003 0.0059
Leishmania major eukaryotic translation initiation factor-like 0.0821 0.5055 0.9929
Mycobacterium ulcerans carbonic anhydrase 0.0826 0.5091 0.5091
Giardia lamblia Hypothetical protein 0.0098 0.003 1
Echinococcus granulosus carbonic anhydrase 0.0134 0.0283 0.0559
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0475 0.2653 0.5248
Trypanosoma brucei Eukaryotic translation initiation factor 4E type 5 0.0098 0.003 0.0059
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0475 0.2653 0.521
Toxoplasma gondii eukaryotic initiation factor-4E, putative 0.0821 0.5055 1
Trypanosoma cruzi Eukaryotic translation initiation factor 4E-3 0.0098 0.003 0.0059

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) Inhibition of human recombinant CA6 by stopped-flow CO2 hydration assay ChEMBL. 21208801
Ki (binding) = 28.4 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) = 49 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) = 165 nM Inhibition of Saccharomyces cerevisiae recombinant CA expressed in Escherichia coli by stopped-flow CO2 hydrase assay ChEMBL. 19124253
Ki (binding) = 256 nM Inhibition of cloned Stylophora pistillata alpha-CA expressed in human HEK293 cells by stopped-flow CO2 assay ChEMBL. 19520577
Ki (binding) = 256 nM Inhibition of Stylophora pistillata carbonic anhydrase by stopped-flow CO2 hydration assay ChEMBL. 21208801
Ki (binding) = 294 nM Inhibition of Stylophora pistillata carbonic anhydrase 2 by stopped-flow CO2 hydration assay ChEMBL. 21208801
Ki (binding) = 495 nM Inhibition of human recombinant carbonic anhydrase 2 by stopped flow CO2 hydration method ChEMBL. 19317447
Ki (binding) = 495 nM Inhibition of human recombinant CA2 by stopped-flow CO2 hydrase assay ChEMBL. 19124253
Ki (binding) = 495 nM Inhibition of human recombinant carbonic anhydrase 2 by stopped flow CO2 hydration assay ChEMBL. 19338333
Ki (binding) = 495 nM Inhibition of Helicobacter pylori beta-carbonic anhydrase by stopped-flow CO2 hydration assay ChEMBL. 19450983
Ki (binding) = 495 nM Inhibition of human recombinant CA2 by stopped-flow CO2 assay ChEMBL. 19520577
Ki (binding) = 495 nM Inhibition of human recombinant CA2 by stopped-flow hydration assay ChEMBL. 19846301
Ki (binding) = 495 nM Inhibition of human recombinant CA2 by stopped-flow CO2 hydration assay ChEMBL. 21208801
Ki (binding) = 495 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) = 1277 nM Inhibition of Candida albicans recombinant Nce103 by stopped-flow CO2 hydration assay ChEMBL. 19450983
Ki (binding) = 1277 nM Inhibition of Candida albicans CaNce103 preincubated for 15 mins measured for 10 to 100 sec by stopped-flow method ChEMBL. 22424239
Ki (binding) = 6690 nM Inhibition of human recombinant carbonic anhydrase 1 by stopped flow CO2 hydration method ChEMBL. 19317447
Ki (binding) = 6690 nM Inhibition of human recombinant CA1 by stopped-flow CO2 hydrase assay ChEMBL. 19124253
Ki (binding) = 6690 nM Inhibition of human recombinant carbonic anhydrase 1 by stopped flow CO2 hydration assay ChEMBL. 19338333
Ki (binding) = 6690 nM Inhibition of human recombinant carbonic anhydrase 1 by stopped-flow CO2 hydrase method ChEMBL. 19450983
Ki (binding) = 6690 nM Inhibition of human recombinant CA1 by stopped-flow CO2 assay ChEMBL. 19520577
Ki (binding) = 6690 nM Inhibition of human recombinant CA1 by stopped-flow CO2 hydration assay ChEMBL. 21208801
Ki (binding) = 7.93 uM Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase 1 encoded by Rv1284 by stopped flow CO2 hydration assay ChEMBL. 19338333

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

8 literature references were collected for this gene.

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