TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 405.376 | Formula: C12H23NO12S
H donors: 8 H acceptors: 9 LogP: -4.8 Rotable bonds: 5
Rule of 5 violations (Lipinski): 2
SMILES: OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O)O)O)S(=O)(=O)N
InChi: 1S/C12H23NO12S/c13-26(21,22)12-9(20)7(18)10(4(2-15)24-12)25-11-8(19)6(17)5(16)3(1-14)23-11/h3-12,14-20H,1-2H2,(H2,13,21,22)/t3-,4-,5+,6+,7-,8-,9-,10-,11+,12+/m1/s1
InChiKey: DDOHHRUODNXYAC-XLOQQCSPSA-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 II	Starlite/ChEMBL	References
Homo sapiens	carbonic anhydrase XII	Starlite/ChEMBL	References
Homo sapiens	carbonic anhydrase I	Starlite/ChEMBL	References
Homo sapiens	carbonic anhydrase IX	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
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
Leishmania major	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 mexicana	carbonic anhydrase-like protein	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
Brugia malayi	Putative carbonic anhydrase 5 precursor	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 infantum	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
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	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 braziliensis	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
Loa Loa (eye worm)	carbonic anhydrase 3	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
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	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

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
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 II	260 aa	259 aa	32.0 %
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	carbonic anhydrase XII	354 aa	295 aa	23.1 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0494	0.0317
Entamoeba histolytica	hypothetical protein	0.0036	0.06	0.7936
Trichomonas vaginalis	importin beta-1, putative	0.0025	0.0257	0.01
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0025	0.0257	0.0102
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0142	0.4003	0.3891
Trichomonas vaginalis	chromobox protein, putative	0.0044	0.088	0.0939
Mycobacterium ulcerans	aldehyde dehydrogenase	0.007	0.1695	1
Schistosoma mansoni	inositol monophosphatase	0.0039	0.0708	0.0535
Toxoplasma gondii	HEAT repeat-containing protein	0.0031	0.0443	0.0728
Echinococcus multilocularis	carbonic anhydrase II	0.0248	0.7409	0.736
Entamoeba histolytica	hypothetical protein	0.0036	0.06	0.7936
Entamoeba histolytica	hypothetical protein	0.0025	0.0257	0.1408
Onchocerca volvulus	Huntingtin homolog	0.0129	0.3609	0.4376
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0248	0.7409	1
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.007	0.1695	0.1541
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0023	0.0183	0.0247
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0037	0.0652	0.0649
Schistosoma mansoni	hypothetical protein	0.0134	0.3763	0.3647
Plasmodium falciparum	carbonic anhydrase	0.0134	0.3763	1
Echinococcus granulosus	histone lysine methyltransferase setb	0.0032	0.0484	0.0307
Schistosoma mansoni	hypothetical protein	0.0175	0.507	0.4978
Echinococcus granulosus	geminin	0.0175	0.507	0.4978
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0032	0.0484	0.0307
Trichomonas vaginalis	conserved hypothetical protein	0.0041	0.078	0.0804
Brugia malayi	RNA, U transporter 1	0.0088	0.2264	0.3057
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0142	0.4003	0.3891
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0248	0.7409	0.736
Schistosoma mansoni	aldehyde dehydrogenase	0.007	0.1695	0.1541
Trichomonas vaginalis	conserved hypothetical protein	0.0041	0.078	0.0804
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0134	0.3763	0.5079
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0032	0.0484	0.0307
Leishmania major	hypothetical protein, conserved	0.0026	0.0299	0.0161
Loa Loa (eye worm)	hypothetical protein	0.0134	0.3763	0.3647
Echinococcus granulosus	importin subunit beta 1	0.0031	0.0443	0.0266
Echinococcus granulosus	carbonic anhydrase	0.0134	0.3763	0.3647
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0037	0.0652	0.0478
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0443	0.0266
Echinococcus multilocularis	snurportin 1	0.0329	1	1
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0025	0.0257	0.01
Schistosoma mansoni	tar DNA-binding protein	0.0139	0.3921	0.3808
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0299	0.0118
Brugia malayi	Importin beta-1 subunit	0.0031	0.0443	0.0599
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0248	0.7409	0.736
Plasmodium falciparum	ataxin-2 like protein, putative	0.0026	0.0299	0.0324
Trypanosoma brucei	importin beta-1 subunit, putative	0.0031	0.0443	0.0361
Loa Loa (eye worm)	hypothetical protein	0.0134	0.3763	0.3647
Brugia malayi	exodeoxyribonuclease III family protein	0.0037	0.0652	0.0879
Schistosoma mansoni	carbonic anhydrase-related	0.0134	0.3763	0.3647
Echinococcus multilocularis	chromobox protein 1	0.0074	0.1818	0.1666
Echinococcus granulosus	chromobox protein 1	0.0074	0.1818	0.1666
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0142	0.4003	0.3891
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0037	0.0652	1
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0037	0.0652	0.0649
Schistosoma mansoni	inositol monophosphatase	0.0039	0.0708	0.0535
Schistosoma mansoni	hypothetical protein	0.0036	0.06	0.0425
Trichomonas vaginalis	set domain proteins, putative	0.0254	0.7614	1
Brugia malayi	RNA recognition motif domain containing protein	0.0139	0.3921	0.5293
Brugia malayi	follicle stimulating hormone receptor	0.0245	0.7308	0.9864
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0037	0.0652	0.0478
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0142	0.4003	0.3891
Loa Loa (eye worm)	RNA binding protein	0.0139	0.3921	0.3808
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0248	0.7409	0.736
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0032	0.0484	0.0307
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0039	0.0708	0.0707
Trichomonas vaginalis	chromobox protein, putative	0.0074	0.1818	0.22
Toxoplasma gondii	exonuclease III APE	0.0037	0.0652	0.131
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0037	0.0652	0.0649
Schistosoma mansoni	ap endonuclease	0.0037	0.0652	0.0478
Echinococcus multilocularis	carbonic anhydrase	0.0134	0.3763	0.3647
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0134	0.3763	0.5079
Loa Loa (eye worm)	hypothetical protein	0.0129	0.3609	0.349
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0039	0.0708	1
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0039	0.0708	0.1467
Plasmodium vivax	importin-beta 2, putative	0.0031	0.0443	0.5561
Brugia malayi	hypothetical protein	0.0036	0.06	0.0809
Echinococcus granulosus	inositol monophosphatase 1	0.0039	0.0708	0.0535
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0142	0.4003	0.3891
Trichomonas vaginalis	conserved hypothetical protein	0.0029	0.0393	0.0283
Brugia malayi	hypothetical protein	0.0129	0.3609	0.4872
Mycobacterium ulcerans	aldehyde dehydrogenase	0.007	0.1695	1
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0044	0.087	0.0701
Plasmodium falciparum	ataxin-2 like protein, putative	0.0026	0.0299	0.0324
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0142	0.4003	0.3891
Trypanosoma cruzi	PAB1-binding protein , putative	0.0026	0.0299	0.0161
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0329	1	1
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0039	0.0708	1
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0037	0.0652	0.0478
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0245	0.7308	0.7258
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0139	0.3921	0.3808
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0039	0.0708	0.0727
Schistosoma mansoni	carbonic anhydrase-related	0.0134	0.3763	0.3647
Trypanosoma cruzi	PAB1-binding protein , putative	0.0026	0.0299	0.0161
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0037	0.0652	0.0649
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0039	0.0708	0.0727
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0037	0.0652	0.131
Brugia malayi	Inositol-1	0.0039	0.0708	0.0956
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0039	0.0708	0.0727
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0039	0.0708	0.0707
Schistosoma mansoni	ap endonuclease	0.0037	0.0652	0.0478
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0032	0.0484	0.0307
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0142	0.4003	0.3891
Schistosoma mansoni	tar DNA-binding protein	0.0139	0.3921	0.3808
Toxoplasma gondii	LsmAD domain-containing protein	0.0026	0.0299	0.0324
Brugia malayi	Pre-SET motif family protein	0.0223	0.6624	0.8941
Leishmania major	carbonic anhydrase-like protein	0.0248	0.7409	1
Trypanosoma brucei	importin beta-1 subunit, putative	0.0031	0.0443	0.0361
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.007	0.1695	0.1541
Brugia malayi	Heterochromatin protein 1	0.0074	0.1818	0.2454
Echinococcus granulosus	tar DNA binding protein	0.0139	0.3921	0.3808
Entamoeba histolytica	hypothetical protein	0.0036	0.06	0.7936
Echinococcus granulosus	carbonic anhydrase	0.0134	0.3763	0.3647
Leishmania major	importin beta-1 subunit, putative	0.0025	0.0257	0.0102
Entamoeba histolytica	hypothetical protein	0.0036	0.06	0.7936
Trypanosoma brucei	PAB1-binding protein , putative	0.0026	0.0299	0.0161
Onchocerca volvulus		0.0044	0.087	0.0529
Trypanosoma brucei	carbonic anhydrase-like protein	0.0248	0.7409	1
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0037	0.0652	0.5
Echinococcus multilocularis	carbonic anhydrase	0.0134	0.3763	0.3647
Schistosoma mansoni	hypothetical protein	0.0329	1	1
Echinococcus granulosus	carbonic anhydrase	0.0134	0.3763	0.3647
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.007	0.1695	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0036	0.06	0.0425
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0484	0.0307
Toxoplasma gondii	hypothetical protein	0.0134	0.3763	1
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0223	0.6624	0.6561
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0248	0.7409	1
Schistosoma mansoni	tar DNA-binding protein	0.0139	0.3921	0.3808
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0134	0.3763	0.5079
Onchocerca volvulus	Huntingtin homolog	0.0129	0.3609	0.4376
Plasmodium vivax	ataxin-2 like protein, putative	0.0026	0.0299	0.2477
Loa Loa (eye worm)	hypothetical protein	0.0129	0.3609	0.349
Brugia malayi	Putative carbonic anhydrase 5 precursor	0.0248	0.7409	1
Echinococcus multilocularis	geminin	0.0175	0.507	0.4978
Echinococcus granulosus	chromobox protein 1	0.0074	0.1818	0.1666
Echinococcus multilocularis	inositol monophosphatase 1	0.0039	0.0708	0.0535
Trichomonas vaginalis	inositol monophosphatase, putative	0.0039	0.0708	0.0707
Loa Loa (eye worm)	carbonic anhydrase 3	0.0248	0.7409	0.736
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0037	0.0652	1
Brugia malayi	Pre-SET motif family protein	0.0032	0.0484	0.0653
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0032	0.0484	0.0841
Loa Loa (eye worm)	hypothetical protein	0.0134	0.3763	0.3647
Schistosoma mansoni	tar DNA-binding protein	0.0139	0.3921	0.3808
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0039	0.0708	0.0727
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0031	0.0446	0.0268
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0142	0.4003	0.3891
Schistosoma mansoni	hypothetical protein	0.0175	0.507	0.4978
Brugia malayi	hypothetical protein	0.0026	0.0299	0.0403
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0036	0.06	0.0425
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0025	0.0257	0.01
Schistosoma mansoni	aldehyde dehydrogenase	0.007	0.1695	0.1541
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0248	0.7409	1
Trichomonas vaginalis	ap endonuclease, putative	0.0037	0.0652	0.0631
Plasmodium vivax	SET domain protein, putative	0.0032	0.0484	0.6423
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0032	0.0484	0.0307
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0142	0.4003	0.5403
Schistosoma mansoni	carbonic anhydrase	0.0134	0.3763	0.3647
Echinococcus granulosus	carbonic anhydrase II	0.0248	0.7409	0.736
Onchocerca volvulus		0.0254	0.7614	1
Loa Loa (eye worm)	TAR-binding protein	0.0139	0.3921	0.3808
Mycobacterium ulcerans	aldehyde dehydrogenase	0.007	0.1695	1
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0044	0.088	0.0543
Schistosoma mansoni	chromobox protein	0.0074	0.1818	0.1666
Schistosoma mansoni	chromobox protein	0.0074	0.1818	0.1666
Brugia malayi	TAR-binding protein	0.0139	0.3921	0.5293
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0134	0.3763	0.5079
Trichomonas vaginalis	chromobox protein, putative	0.0044	0.088	0.0939
Echinococcus multilocularis	tar DNA binding protein	0.0139	0.3921	0.3808
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0134	0.3763	0.3647
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	0.0035	0.0577	0.5
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0041	0.078	0.0402
Trichomonas vaginalis	chromobox protein, putative	0.0074	0.1818	0.22
Schistosoma mansoni	carbonic anhydrase-related	0.0134	0.3763	0.3647
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0134	0.3763	0.5079
Schistosoma mansoni	importin beta-1	0.0031	0.0443	0.0266
Brugia malayi	RNA binding protein	0.0139	0.3921	0.5293
Trichomonas vaginalis	ap endonuclease, putative	0.0037	0.0652	0.0631
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0037	0.0652	0.8927
Loa Loa (eye worm)	heterochromatin protein 1	0.0074	0.1818	0.1666
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.007	0.1695	0.2093
Schistosoma mansoni	tar DNA-binding protein	0.0139	0.3921	0.3808
Echinococcus multilocularis	importin subunit beta 1	0.0031	0.0443	0.0266
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0039	0.0708	0.054
Echinococcus multilocularis	carbonic anhydrase	0.0134	0.3763	0.3647
Toxoplasma gondii	aldehyde dehydrogenase	0.007	0.1695	0.4225
Plasmodium falciparum	importin beta, putative	0.0031	0.0443	0.0728
Trichomonas vaginalis	conserved hypothetical protein	0.0029	0.0393	0.0283
Loa Loa (eye worm)	inositol-1	0.0039	0.0708	0.0535
Brugia malayi	chromobox protein homolog 3	0.0041	0.078	0.1053
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0037	0.0652	0.0669
Schistosoma mansoni	transcription factor LCR-F1	0.0036	0.06	0.0425
Echinococcus multilocularis	chromobox protein 1	0.0074	0.1818	0.1666
Loa Loa (eye worm)	hypothetical protein	0.0041	0.078	0.0608

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 3.92 uM	Inhibition of human cloned CA2 by stopped flow CO2 hydration assay	ChEMBL.	19827837
Ki (binding)	= 3.97 uM	Inhibition of human cloned CA1 by stopped flow CO2 hydration assay	ChEMBL.	19827837
Ki (binding)	= 4.19 uM	Inhibition of human cloned CA9 catalytic domain by stopped flow CO2 hydration assay	ChEMBL.	19827837
Ki (binding)	= 4.77 uM	Inhibition of human cloned CA12 catalytic domain by stopped flow CO2 hydration assay	ChEMBL.	19827837

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: CHEMBL570125

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1066039