TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 378.405 | Formula: C10H10N4O6S3
H donors: 2 H acceptors: 6 LogP: 0.42 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: OC(=O)c1cccc(c1)S(=O)(=O)/N=c\1/sc(nn1C)S(=O)(=O)N
InChi: 1S/C10H10N4O6S3/c1-14-9(21-10(12-14)22(11,17)18)13-23(19,20)7-4-2-3-6(5-7)8(15)16/h2-5H,1H3,(H,15,16)(H2,11,17,18)/b13-9+
InChiKey: KTYJLJQTVQUQCU-UKTHLTGXSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

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
Bos taurus	Carbonic anhydrase IV	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Leishmania braziliensis	carbonic anhydrase-like protein	Get druggable targets OG5_127628	All targets in OG5_127628
Leishmania infantum	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
Echinococcus multilocularis	carbonic anhydrase 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
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	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
Echinococcus granulosus	carbonic anhydrase II	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
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
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
Leishmania donovani	carbonic anhydrase-like protein	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
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	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
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	Get druggable targets OG5_127628	All targets in OG5_127628
Loa Loa (eye worm)	carbonic anhydrase 3	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

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	Carbonic anhydrase IV	312 aa	322 aa	28.3 %
Schistosoma mansoni	carbonic anhydrase-related	Carbonic anhydrase IV	312 aa	264 aa	24.2 %
Trypanosoma brucei	carbonic anhydrase-like protein	carbonic anhydrase I	261 aa	281 aa	25.3 %
Brugia malayi	Carbonic anhydrase like protein 2 precursor	Carbonic anhydrase IV	312 aa	268 aa	24.6 %
Onchocerca volvulus		Carbonic anhydrase IV	312 aa	252 aa	23.4 %
Leishmania infantum	carbonic anhydrase-like protein	Carbonic anhydrase IV	312 aa	277 aa	26.7 %
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	Carbonic anhydrase IV	312 aa	264 aa	25.4 %
Leishmania braziliensis	carbonic anhydrase-like protein	Carbonic anhydrase IV	312 aa	277 aa	25.6 %
Schistosoma japonicum	ko:K01672 carbonic anhydrase [EC4.2.1.1], putative	Carbonic anhydrase IV	312 aa	253 aa	26.9 %
Loa Loa (eye worm)	hypothetical protein	Carbonic anhydrase IV	312 aa	268 aa	25.4 %
Echinococcus granulosus	carbonic anhydrase	Carbonic anhydrase IV	312 aa	304 aa	29.6 %
Leishmania mexicana	carbonic anhydrase-like protein	Carbonic anhydrase IV	312 aa	287 aa	26.8 %
Schistosoma mansoni	carbonic anhydrase-related	Carbonic anhydrase IV	312 aa	265 aa	26.0 %
Brugia malayi	Carbonic anhydrase like protein 2 precursor	carbonic anhydrase II	260 aa	259 aa	32.0 %
Echinococcus multilocularis	carbonic anhydrase	Carbonic anhydrase IV	312 aa	259 aa	30.1 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0231	0.0085	0.1198
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.0662	0.0368	0.4704
Trypanosoma cruzi	phosphatidylinositol kinase, putative	0.0231	0.0085	0.0218
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1136	0.0678	0.9678
Entamoeba histolytica	hypothetical protein	0.0662	0.0368	0.4611
Trichomonas vaginalis	PIKK family atypical protein kinase	0.074	0.0419	0.5448
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0231	0.0085	0.1235
Schistosoma mansoni	hypothetical protein	0.0231	0.0085	0.1198
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0626	0.0344	0.0972
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.1166	0.0698	0.0698
Onchocerca volvulus		0.0231	0.0085	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1147	0.0686	0.9802
Loa Loa (eye worm)	phosphatidylinositol 3	0.1146	0.0685	0.9819
Mycobacterium leprae	conserved hypothetical protein	0.0231	0.0085	0.5
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.1186	0.0711	1
Schistosoma mansoni	phosphatidylinositol 3-kinase class	0.0231	0.0085	0.1198
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0416	0.0207	0.1985
Trichomonas vaginalis	conserved hypothetical protein	0.0489	0.0254	0.2757
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0381	0.0184	0.161
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0214	0.0074	0.0187
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0662	0.0368	0.4611
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0528	0.028	0.3175
Echinococcus multilocularis	phosphatidylinositol 4 kinase alpha	0.0282	0.0119	0.0119
Plasmodium vivax	phosphatidylinositol 3-kinase, putative	0.0282	0.0119	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1156	0.0692	0.9901
Entamoeba histolytica	protein kinase rad3, putative	0.0647	0.0358	0.4453
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1166	0.0698	1
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	0.08	0.0458	0.0458
Brugia malayi	phosphatidylinositol 4-kinase, catalytic, alpha polypeptide	0.0282	0.0119	0.1674
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0231	0.0085	0.1235
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0626	0.0344	0.0972
Leishmania major	phosphatidylinositol 4-kinase, putative	0.0231	0.0085	0.0031
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0282	0.0119	0.1674
Loa Loa (eye worm)	hypothetical protein	0.0647	0.0358	0.5131
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0677	0.0378	0.4775
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.08	0.0458	0.0458
Loa Loa (eye worm)	phosphatidylinositol 3	0.0231	0.0085	0.1221
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1145	0.0684	0.9777
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.0446	0.0226	0.0226
Leishmania major	hypothetical protein, conserved	0.5597	0.36	1
Entamoeba histolytica	phosphatidylinositol 4-kinase, putative	0.0282	0.0119	0.0552
Giardia lamblia	Phosphoinositide-3-kinase, class 3	0.0295	0.0127	0.069
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0231	0.0085	0.5
Echinococcus granulosus	PIK kinase FAT and Armadillo domain containing protein	0.0489	0.0254	0.0254
Loa Loa (eye worm)	phosphatidylinositol 3	0.0116	0.001	0.0145
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0666	0.037	0.4651
Loa Loa (eye worm)	hypothetical protein	0.0489	0.0254	0.3642
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0214	0.0074	0.1047
Echinococcus multilocularis	Phosphatidylinositol 4 kinase type 2 beta	0.0231	0.0085	0.0085
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0626	0.0344	0.4233
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.1166	0.0698	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1166	0.0698	1
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0729	0.0411	0.5405
Trypanosoma cruzi	phosphatidylinositol 4-kinase, putative	0.0231	0.0085	0.0218
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1156	0.0692	0.9901
Plasmodium falciparum	phosphatidylinositol 3- and 4-kinase, putative	0.0231	0.0085	0.7158
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1154	0.069	0.9876
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1156	0.0692	0.9901
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.1146	0.0685	0.9797
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0214	0.0074	0.0187
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1166	0.0698	1
Plasmodium falciparum	phosphatidylinositol 4-kinase	0.0231	0.0085	0.7158
Echinococcus multilocularis	Zinc finger, PHD finger	0.0282	0.0119	0.0119
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1145	0.0684	0.9777
Plasmodium falciparum	phosphatidylinositol 3-kinase	0.0282	0.0119	1
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.0647	0.0358	0.0358
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.1166	0.0698	0.1768
Loa Loa (eye worm)	phosphatidylinositol 3	0.0231	0.0085	0.1221
Leishmania major	hypothetical protein, unknown function	0.0231	0.0085	0.0031
Loa Loa (eye worm)	phosphatidylinositol 4-kinase type 3 alpha isoform 1	0.0282	0.0119	0.1706
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0282	0.0119	0.1725
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0214	0.0074	0.1067
Brugia malayi	Putative carbonic anhydrase 5 precursor	0.0214	0.0074	0.1047
Trypanosoma cruzi	target of rapamycin kinase 3	0.1157	0.0692	0.1982
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1156	0.0692	0.9901
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1156	0.0692	0.9901
Loa Loa (eye worm)	carbonic anhydrase 3	0.0214	0.0074	0.1067
Entamoeba histolytica	Phosphatidylinositol 3- and 4-kinase family	0.0658	0.0365	0.4569
Giardia lamblia	GTOR	0.1166	0.0698	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0647	0.0358	0.5033
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0231	0.0085	0.1198
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0231	0.0085	0.0218
Echinococcus granulosus	Phosphatidylinositol 4 kinase type 2 beta	0.0231	0.0085	0.0085
Echinococcus multilocularis	PIK kinase, FAT and Armadillo domain containing protein	0.0489	0.0254	0.0254
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0668	0.0372	0.4676
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.1186	0.0711	0.2039
Trichomonas vaginalis	conserved hypothetical protein	0.0719	0.0405	0.5225
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.0647	0.0358	0.0358
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0231	0.0085	0.1198
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.1166	0.0698	0.1999
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.1166	0.0698	0.981
Trypanosoma brucei	phosphatidylinositol 3-kinase catalytic subunit, putative	0.0231	0.0085	0.0173
Trichomonas vaginalis	conserved hypothetical protein	0.0416	0.0207	0.1985
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0347	0.0161	0.1242
Leishmania major	phosphatidylinositol kinase related protein, putative	0.0246	0.0095	0.0058
Brugia malayi	Cytochrome P450 family protein	0.0112	0.0008	0.0107
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1146	0.0685	0.9794
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.0446	0.0226	0.0226
Entamoeba histolytica	hypothetical protein	0.0562	0.0302	0.3543
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0347	0.0161	0.2268
Loa Loa (eye worm)	hypothetical protein	0.0231	0.0085	0.1221
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1154	0.069	0.9876
Echinococcus multilocularis	Phosphatidylinositol 4 kinase type 2 beta	0.0231	0.0085	0.0085
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.1166	0.0698	1
Brugia malayi	FAT domain containing protein	0.0489	0.0254	0.3573
Toxoplasma gondii	target of rapamycin (TOR), putative	0.1154	0.069	1
Schistosoma mansoni	fkbp-rapamycin associated protein	0.0647	0.0358	0.5033
Echinococcus granulosus	phosphatidylinositol 3 kinase catalytic subunit	0.0282	0.0119	0.0119
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0626	0.0344	0.4233
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0249	0.0097	0.0367
Schistosoma mansoni	hypothetical protein	0.0489	0.0254	0.3573
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0347	0.0161	0.1242
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0647	0.0358	0.1011
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0214	0.0074	0.1047
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0231	0.0085	0.1235
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.1166	0.0698	1
Trypanosoma cruzi	phosphatidylinositol 4-kinase, putative	0.0231	0.0085	0.0218
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0662	0.0368	0.5169
Onchocerca volvulus		0.0231	0.0085	0.5
Leishmania major	phosphatidylinositol 4-kinase alpha, putative	0.0282	0.0119	0.0127
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.1166	0.0698	0.1999
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.1157	0.0692	0.9903
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0446	0.0226	0.3179
Loa Loa (eye worm)	hypothetical protein	0.0181	0.0052	0.0752
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0658	0.0365	0.4569
Echinococcus multilocularis	carbonic anhydrase II	0.0214	0.0074	0.0074
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1154	0.069	0.9876
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0528	0.028	0.3175
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1145	0.0684	0.9777
Schistosoma mansoni	phosphatidylinositol 4-kinase type-II	0.0231	0.0085	0.1198
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0662	0.0368	0.104
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.08	0.0458	0.6444
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.1186	0.0711	1
Toxoplasma gondii	FATC domain-containing protein	0.0662	0.0368	0.5327
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.1166	0.0698	0.1768
Trichomonas vaginalis	PIKK family atypical protein kinase	0.024	0.0091	0.0099
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.0626	0.0344	0.4233
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1145	0.0684	0.9777
Echinococcus multilocularis		0.0231	0.0085	0.0085
Entamoeba histolytica	phosphatidylinositol 3-kinase 1, putative	0.0396	0.0193	0.1765
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1145	0.0684	0.9777
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0282	0.0119	0.0127
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	1.5367	1	1
Brugia malayi	phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative	0.0174	0.0048	0.0674
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.0719	0.0405	0.5872
Loa Loa (eye worm)	hypothetical protein	0.0431	0.0216	0.3102
Loa Loa (eye worm)	phosphatidylinositol 3	0.0231	0.0085	0.1221
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0347	0.0161	0.2268
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0662	0.0368	0.5169
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0347	0.0161	0.1242
Loa Loa (eye worm)	phosphatidylinositol 3	0.1166	0.0698	1
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0347	0.0161	0.1242
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1145	0.0684	0.9777
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1145	0.0684	0.9777
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1136	0.0678	0.9678
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1154	0.069	0.9876
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0666	0.037	0.4651
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.1186	0.0711	0.2039
Trypanosoma cruzi	phosphatidylinositol 3-kinase vps34-like	0.0347	0.0161	0.044
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1136	0.0678	0.9678
Trypanosoma cruzi	hypothetical protein, conserved	0.5366	0.3449	1
Trichomonas vaginalis	phosphatidylinositol 4-kinase, putative	0.0282	0.0119	0.0552
Echinococcus granulosus	phosphatidylinositol 4 kinase alpha	0.0282	0.0119	0.0119
Loa Loa (eye worm)	phosphatidylinositol 3	0.0736	0.0416	0.5963
Echinococcus granulosus	carbonic anhydrase II	0.0214	0.0074	0.0074
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1154	0.069	0.9876
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1136	0.0678	0.9678
Loa Loa (eye worm)	cytochrome P450 family protein	0.0112	0.0008	0.0109
Loa Loa (eye worm)	hypothetical protein	0.0446	0.0226	0.324
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1154	0.069	0.9876
Loa Loa (eye worm)	hypothetical protein	0.0719	0.0405	0.5808
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0562	0.0302	0.3543
Entamoeba histolytica	phosphatidylinositol-4,5-bisphosphate 3-kinase, putative	0.0282	0.0119	0.0552
Leishmania major	phosphatidylinositol kinase, putative	0.0231	0.0085	0.0031
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0626	0.0344	0.4233
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1154	0.069	0.9876
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0626	0.0344	0.4843
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.1157	0.0692	0.1751
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.1186	0.0711	0.0711
Loa Loa (eye worm)	phosphatidylinositol 3	0.0231	0.0085	0.1221
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0347	0.0161	0.1242
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0282	0.0119	0.0317
Echinococcus granulosus	Phosphatidylinositol 4 kinase type 2 beta	0.0231	0.0085	0.0085
Echinococcus multilocularis	serine protein kinase ATM	0.0662	0.0368	0.0368
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0231	0.0085	0.0173
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0666	0.037	0.4651
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0214	0.0074	0.1047
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1147	0.0686	0.9802
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.1166	0.0698	0.0698
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0647	0.0358	0.4453
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0282	0.0119	0.1725
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0347	0.0161	0.1393
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.1136	0.0678	0.9684
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0231	0.0085	0.1198
Echinococcus granulosus	serine protein kinase ATM	0.0662	0.0368	0.0368
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.1166	0.0698	1
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0282	0.0119	0.1674
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0282	0.0119	0.0552
Echinococcus granulosus	phosphatidylinositol 4 kinase beta	0.0231	0.0085	0.0085
Trypanosoma brucei	phosphatidylinositol 4-kinase alpha, putative	0.0282	0.0119	0.0716
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.1186	0.0711	0.0711
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0282	0.0119	0.0317
Leishmania major	phosphatidylinositol 3-kinase, putative	0.1136	0.0678	0.1712
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	0.0463	0.0237	0.2486
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0431	0.0216	0.06
Loa Loa (eye worm)	phosphatidylinositol kinase	0.0231	0.0085	0.1221
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.1146	0.0685	0.1732
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0282	0.0119	0.0552
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0246	0.0095	0.0246
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.1166	0.0698	0.981

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 5.9 nM	Inhibitory activity against human carbonic anhydrase II	ChEMBL.	14611846
Ki (binding)	= 5.9 nM	Inhibitory activity against human carbonic anhydrase II	ChEMBL.	14611846
Ki (binding)	= 15 nM	Inhibitory activity of the compound against Carbonic anhydrase IV isolated from bovine lung	ChEMBL.	14611846
Ki (binding)	= 15 nM	Inhibitory activity of the compound against Carbonic anhydrase IV isolated from bovine lung	ChEMBL.	14611846
Ki (binding)	= 73 nM	Inhibitory activity of the compound against human carbonic anhydrase I (hCA I)	ChEMBL.	14611846
Ki (binding)	= 73 nM	Inhibitory activity of the compound against human carbonic anhydrase I (hCA I)	ChEMBL.	14611846

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

ChEMBL: CHEMBL95637

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 159771