TDR Targets

Basic information

Technical information

TDR Targets ID: 106839
Name: N-(pyridin-2-ylmethyl)-4-sulfamoylbenzamide
MW: 291.326 | Formula: C13H13N3O3S
H donors: 2 H acceptors: 4 LogP: 0.22 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: O=C(c1ccc(cc1)S(=O)(=O)N)NCc1ccccn1
InChi: 1S/C13H13N3O3S/c14-20(18,19)12-6-4-10(5-7-12)13(17)16-9-11-3-1-2-8-15-11/h1-8H,9H2,(H,16,17)(H2,14,18,19)
InChiKey: VELIRWMFNGCVBK-UHFFFAOYSA-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

N-(2-pyridylmethyl)-4-sulfamoyl-benzamide
N-(2-pyridylmethyl)-4-sulfamoylbenzamide
N-(pyridin-2-ylmethyl)-4-sulfamoyl-benzamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
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
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase 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
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
Echinococcus granulosus	carbonic anhydrase II	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
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 infantum	carbonic anhydrase-like protein	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
Schistosoma japonicum	ko:K01672 carbonic anhydrase [EC4.2.1.1], putative	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
Trypanosoma congolense	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
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
Brugia malayi	Putative carbonic anhydrase 5 precursor	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

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	Carbonic anhydrase like protein 2 precursor	carbonic anhydrase II	260 aa	259 aa	32.0 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	AGC family protein kinase	0.0335	0.035	1
Trichomonas vaginalis	AGC family protein kinase	0.0335	0.035	1
Schistosoma mansoni	serine/threonine protein kinase	0.0335	0.035	0.035
Loa Loa (eye worm)	AGC/PKC/ALPHA protein kinase	0.1341	0.6532	0.8494
Loa Loa (eye worm)	AGC/NDR protein kinase	0.0335	0.035	0.0455
Echinococcus granulosus	serine:threonine protein kinase N2	0.0335	0.035	0.035
Echinococcus multilocularis	serine threonine protein kinase	0.1668	0.8545	0.8545
Echinococcus granulosus	RNA directed DNA polymerase	0.1292	0.6234	0.6234
Loa Loa (eye worm)	AGC/RSK/RSK protein kinase	0.0335	0.035	0.0455
Trichomonas vaginalis	AGC family protein kinase	0.0335	0.035	1
Loa Loa (eye worm)	AGC/AKT protein kinase	0.0335	0.035	0.0455
Echinococcus granulosus	NDR protein kinase	0.0335	0.035	0.035
Echinococcus granulosus	ribosomal protein s6 kinase beta 1	0.0335	0.035	0.035
Entamoeba histolytica	protein kinase, putative	0.0335	0.035	0.5
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.0613	0.2058	0.2676
Trichomonas vaginalis	AGC family protein kinase	0.0335	0.035	1
Trypanosoma brucei	rac serine-threonine kinase, putative	0.0335	0.035	0.5
Schistosoma mansoni	serine/threonine protein kinase	0.1905	1	1
Echinococcus multilocularis	Ribosomal protein S6 kinase beta 2	0.0335	0.035	0.035
Echinococcus multilocularis	ribosomal protein S6 kinase alpha 3	0.0335	0.035	0.035
Schistosoma mansoni	serine/threonine protein kinase	0.0335	0.035	0.035
Trichomonas vaginalis	AGC family protein kinase	0.0335	0.035	1
Echinococcus multilocularis	protein kinase c epsilon type	0.0613	0.2058	0.2058
Echinococcus multilocularis	serine:threonine protein kinase 38	0.0335	0.035	0.035
Entamoeba histolytica	protein kinase, putative	0.0335	0.035	0.5
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0335	0.035	0.035
Loa Loa (eye worm)	hypothetical protein	0.0706	0.263	0.3421
Loa Loa (eye worm)	hypothetical protein	0.0706	0.263	0.3421
Toxoplasma gondii	AGC kinase	0.0335	0.035	0.5
Echinococcus granulosus	Ribosomal protein S6 kinase beta 2	0.0335	0.035	0.035
Brugia malayi	Protein kinase c protein 2	0.1577	0.7987	1
Schistosoma mansoni	serine/threonine protein kinase	0.0335	0.035	0.035
Entamoeba histolytica	protein kinase, putative	0.0335	0.035	0.5
Schistosoma mansoni	serine/threonine kinase	0.0335	0.035	0.035
Trichomonas vaginalis	AGC family protein kinase	0.0335	0.035	1
Schistosoma mansoni	serine/threonine protein kinase	0.1905	1	1
Loa Loa (eye worm)	hypothetical protein	0.0943	0.4085	0.5313
Loa Loa (eye worm)	hypothetical protein	0.1529	0.7689	1
Schistosoma mansoni	serine/threonine protein kinase	0.0613	0.2058	0.2058
Echinococcus multilocularis	telomerase reverse transcriptase subunit	0.1292	0.6234	0.6234
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.0335	0.035	0.0455
Brugia malayi	protein kinase C II.	0.0613	0.2058	0.2236
Schistosoma mansoni	atypical protein kinase C	0.0572	0.1805	0.1805
Entamoeba histolytica	protein kinase, putative	0.0335	0.035	0.5
Echinococcus multilocularis	RNA directed DNA polymerase	0.1292	0.6234	0.6234
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.1905	1	1
Trichomonas vaginalis	AGC family protein kinase	0.0335	0.035	1
Echinococcus multilocularis	ribosomal protein s6 kinase beta 1	0.0335	0.035	0.035
Trichomonas vaginalis	AGC family protein kinase	0.0335	0.035	1
Loa Loa (eye worm)	hypothetical protein	0.1041	0.4688	0.6097
Onchocerca volvulus		0.0706	0.263	1
Echinococcus granulosus	protein kinase c epsilon type	0.0613	0.2058	0.2058
Loa Loa (eye worm)	AGC/RSK/MSK protein kinase	0.0335	0.035	0.0455
Loa Loa (eye worm)	AGC/PKN protein kinase	0.0335	0.035	0.0455
Echinococcus granulosus	ribosomal protein S6 kinase alpha 3	0.0335	0.035	0.035
Trichomonas vaginalis	AGC family protein kinase	0.0335	0.035	1
Schistosoma mansoni	serine/threonine protein kinase	0.0335	0.035	0.035
Trichomonas vaginalis	AGC family protein kinase	0.0335	0.035	1
Echinococcus granulosus	protein kinase c iota type	0.0572	0.1805	0.1805
Echinococcus multilocularis	protein kinase c iota type	0.0572	0.1805	0.1805
Trichomonas vaginalis	AGC family protein kinase	0.0335	0.035	1
Loa Loa (eye worm)	AGC/DMPK/GEK protein kinase	0.0335	0.035	0.0455
Loa Loa (eye worm)	hypothetical protein	0.1292	0.6234	0.8108
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0335	0.035	0.035
Echinococcus granulosus	protein kinase C gamma type	0.1668	0.8545	0.8545
Loa Loa (eye worm)	hypothetical protein	0.0706	0.263	0.3421

Activities

Activity type	Activity value	Assay description	Source	Reference
Kd (binding)	= 4.3 nM	Dissociation constant against human Carbonic anhydrase II (HCA II)	ChEMBL.	8027991
Kd (binding)	= 4.3 nM	Dissociation constant against human Carbonic anhydrase II (HCA II)	ChEMBL.	8027991

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

PubChem: 10334453

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 106839