TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 489.345 | Formula: C20H19Cl2FN2O5S
H donors: 2 H acceptors: 5 LogP: 3.88 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: OC(=O)[C@H](Cc1ccccc1F)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)cc(c1)Cl
InChi: 1S/C20H19Cl2FN2O5S/c21-13-9-14(22)11-15(10-13)31(29,30)25-7-3-6-18(25)19(26)24-17(20(27)28)8-12-4-1-2-5-16(12)23/h1-2,4-5,9-11,17-18H,3,6-8H2,(H,24,26)(H,27,28)/t17-,18-/m0/s1
InChiKey: YKTFSYAGPCXYHA-ROUUACIJSA-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	integrin, beta 1 (fibronectin receptor, beta polypeptide, antigen CD29 includes MDF2, MSK12)	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	Integrin beta-PS precursor, putative	Get druggable targets OG5_127959	All targets in OG5_127959
Schistosoma japonicum	Integrin beta-3 precursor, putative	Get druggable targets OG5_127959	All targets in OG5_127959
Echinococcus granulosus	integrin beta 2	Get druggable targets OG5_127959	All targets in OG5_127959
Brugia malayi	Integrin beta pat-3 precursor	Get druggable targets OG5_127959	All targets in OG5_127959
Loa Loa (eye worm)	integrin beta-2	Get druggable targets OG5_127959	All targets in OG5_127959
Echinococcus multilocularis	integrin beta 2	Get druggable targets OG5_127959	All targets in OG5_127959
Schistosoma mansoni	integrin beta subunit	Get druggable targets OG5_127959	All targets in OG5_127959
Schistosoma japonicum	ko:K06464 integrin beta 2, putative	Get druggable targets OG5_127959	All targets in OG5_127959

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	glutamate-cysteine ligase modifier subunit	0.0194	0.0468	0.2765
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0037	0.0066	0.3574
Onchocerca volvulus		0.067	0.1688	0.7495
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0035	0.0061	0.0348
Echinococcus multilocularis	carbonic anhydrase	0.0305	0.0752	0.4418
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0305	0.0752	0.4452
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.067	0.1688	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.067	0.1688	0.9923
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0305	0.0752	0.4456
Plasmodium falciparum	aldo-keto reductase, putative	0.0194	0.0468	0.6163
Toxoplasma gondii	aldose reductase, putative	0.067	0.1688	1
Plasmodium vivax	sulfate transporter, putative	0.0142	0.0334	0.7064
Toxoplasma gondii	exonuclease III APE	0.0037	0.0066	0.0381
Trypanosoma brucei	Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative	0.0142	0.0334	0.1925
Plasmodium vivax	oxidoreductase, aldo/keto reductase domain containing protein	0.0194	0.0468	1
Brugia malayi	EGF-like domain containing protein	0.0012	0.0001	0.0008
Plasmodium vivax	SET domain protein, putative	0.0061	0.0126	0.2532
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.067	0.1688	1
Schistosoma mansoni	microtubule-associated protein tau	0.0675	0.1701	1
Echinococcus granulosus	aldo keto reductase family 1, member B4	0.0194	0.0468	0.2744
Echinococcus granulosus	microtubule associated protein 2	0.0675	0.1701	1
Schistosoma mansoni	hypothetical protein	0.033	0.0816	0.4764
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0085	0.0492
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0056	0.0113	0.0659
Trichomonas vaginalis	aldo-keto reductase, putative	0.0194	0.0468	0.0466
Loa Loa (eye worm)	kelch domain-containing protein family protein	0.0057	0.0117	0.0688
Toxoplasma gondii	NADPH-glutathione reductase	0.0016	0.0011	0.0056
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0035	0.0061	0.0351
Echinococcus granulosus	thioredoxin glutathione reductase	0.0046	0.0087	0.0506
Trichomonas vaginalis	aldo-keto reductase, putative	0.067	0.1688	0.1687
Mycobacterium tuberculosis	Probable dehydrogenase	0.0104	0.0238	0.024
Plasmodium vivax	glutathione reductase, putative	0.0046	0.0087	0.1677
Onchocerca volvulus		0.089	0.2251	1
Schistosoma mansoni	carbonic anhydrase-related	0.0305	0.0752	0.4387
Entamoeba histolytica	aldose reductase, putative	0.067	0.1688	1
Entamoeba histolytica	aldose reductase, putative	0.067	0.1688	1
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0076	0.0164	0.0153
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0076	0.0164	0.4749
Loa Loa (eye worm)	thioredoxin reductase	0.0046	0.0087	0.051
Loa Loa (eye worm)	carbonic anhydrase 3	0.0518	0.1298	0.7691
Trichomonas vaginalis	aldo-keto reductase, putative	0.067	0.1688	0.1687
Echinococcus multilocularis	aldehyde reductase	0.0476	0.119	0.6996
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0061	0.0053
Trichomonas vaginalis	ap endonuclease, putative	0.0037	0.0066	0.0064
Trichomonas vaginalis	aldo-keto reductase, putative	0.067	0.1688	0.1687
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0061	0.0126	0.0684
Plasmodium vivax	hypothetical protein, conserved	0.0035	0.0061	0.109
Giardia lamblia	Aldose reductase	0.067	0.1688	1
Leishmania major	carbonic anhydrase family protein, putative	0.0215	0.0521	0.304
Toxoplasma gondii	pyruvate dehydrogenase complex subunit PDH-E3II	0.0016	0.0011	0.0056
Trichomonas vaginalis	alcohol dehydrogenase, putative	0.0194	0.0468	0.0466
Plasmodium falciparum	carbonic anhydrase	0.0305	0.0752	1
Onchocerca volvulus		0.067	0.1688	0.7495
Onchocerca volvulus		0.0061	0.0126	0.0556
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0061	0.0351
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.067	0.1688	0.9923
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.067	0.1688	0.9923
Plasmodium vivax	thioredoxin reductase, putative	0.0046	0.0087	0.1677
Loa Loa (eye worm)	oxidoreductase	0.067	0.1688	1
Giardia lamblia	Aldose reductase	0.067	0.1688	1
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0061	0.0053
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0035	0.0061	0.005
Mycobacterium leprae	conserved hypothetical protein	0.0035	0.0061	0.0092
Toxoplasma gondii	aldo/keto reductase family oxidoreductase	0.0194	0.0468	0.2765
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0061	0.0053
Schistosoma mansoni	carbonic anhydrase	0.0305	0.0752	0.4387
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0061	0.0351
Brugia malayi	Probable ClpP-like protease	0.0076	0.0164	0.0972
Trichomonas vaginalis	aldo-keto reductase, putative	0.0194	0.0468	0.0466
Mycobacterium ulcerans	integral membrane transporter	0.0142	0.0334	0.0323
Mycobacterium tuberculosis	Conserved protein	0.0194	0.0468	0.0484
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0061	0.0126	0.0684
Echinococcus granulosus	aldo keto reductase	0.067	0.1688	0.9923
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0037	0.0066	0.0327
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.067	0.1688	0.9923
Trichomonas vaginalis	aldo-keto reductase, putative	0.067	0.1688	0.1687
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0126	0.0742
Schistosoma mansoni	cpg binding protein	0.003	0.0046	0.0211
Onchocerca volvulus		0.0035	0.0061	0.0263
Leishmania major	prostaglandin f synthase, putative	0.067	0.1688	1
Loa Loa (eye worm)	glutathione reductase	0.0046	0.0087	0.051
Echinococcus multilocularis	cpg binding protein	0.003	0.0046	0.0265
Trichomonas vaginalis	aldo-keto reductase, putative	0.067	0.1688	0.1687
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.067	0.1688	0.9923
Onchocerca volvulus	Putative sulfate transporter	0.089	0.2251	1
Toxoplasma gondii	hypothetical protein	0.0026	0.0037	0.0211
Brugia malayi	beta-lactamase family protein	0.0035	0.0061	0.0359
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0104	0.0238	0.024
Echinococcus granulosus	carbonic anhydrase	0.0305	0.0752	0.4418
Trypanosoma brucei	hypothetical protein, conserved	0.0035	0.0061	0.0297
Schistosoma mansoni	ap endonuclease	0.0037	0.0066	0.0324
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.067	0.1688	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.067	0.1688	0.1687
Entamoeba histolytica	alcohol dehydrogenase, putative	0.0194	0.0468	0.2479
Trichomonas vaginalis	aldo-keto reductase, putative	0.067	0.1688	0.1687
Onchocerca volvulus		0.0148	0.035	0.1548
Plasmodium falciparum	thioredoxin reductase	0.0046	0.0087	0.1033
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0116	0.0267	0.0272
Mycobacterium tuberculosis	Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase)	0.1243	0.3156	0.3332
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0076	0.0164	0.4749
Plasmodium falciparum	glutathione reductase	0.0046	0.0087	0.1033
Brugia malayi	EGF-like domain containing protein	0.0012	0.0001	0.0008
Mycobacterium leprae	CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE)	0.0215	0.0521	0.1884
Mycobacterium leprae	Probable lipase LipE	0.0035	0.0061	0.0092
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0037	0.0066	0.0739
Brugia malayi	Kelch motif family protein	0.0057	0.0117	0.0696
Mycobacterium ulcerans	hypothetical protein	0.0035	0.0061	0.005
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0076	0.0164	0.0965
Trypanosoma cruzi	Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative	0.0142	0.0334	0.1925
Loa Loa (eye worm)	hypothetical protein	0.067	0.1688	1
Echinococcus granulosus	hypothetical protein	0.067	0.1688	0.9923
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0035	0.0061	0.0359
Mycobacterium tuberculosis	Probable oxidoreductase	0.067	0.1688	0.1777
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0035	0.0061	0.0053
Echinococcus multilocularis	peptidase Clp (S14 family)	0.005	0.0097	0.0564
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.067	0.1688	0.1687
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.005	0.0097	0.0092
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.067	0.1688	0.9923
Trichomonas vaginalis	aldo/keto reductase, putative	0.067	0.1688	0.1687
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0116	0.0267	0.0898
Schistosoma mansoni	carbonic anhydrase	0.0215	0.0521	0.3017
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0061	0.0295
Mycobacterium leprae	Conserved hypothetical protein	0.0476	0.119	0.4491
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0305	0.0752	0.4456
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.067	0.1688	0.9923
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0058	0.0119	0.0693
Echinococcus granulosus	beta LACTamase domain containing family member	0.0035	0.0061	0.0348
Trichomonas vaginalis	esterase, putative	0.0035	0.0061	0.0059
Plasmodium falciparum	inorganic anion exchanger, inorganic anion antiporter	0.0142	0.0334	0.4353
Brugia malayi	NADH-dependent xylose reductase	0.0194	0.0468	0.2771
Mycobacterium leprae	Possible oxidoreductase	0.0194	0.0468	0.1677
Mycobacterium tuberculosis	Probable lipase LipD	0.0035	0.0061	0.0053
Mycobacterium tuberculosis	Probable hydrolase	0.0035	0.0061	0.0053
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0117	0.0688
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0104	0.0238	0.024
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0061	0.0059
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.067	0.1688	0.9923
Trichomonas vaginalis	conserved hypothetical protein	0.3914	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.067	0.1688	0.9923
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.0085	0.0496
Loa Loa (eye worm)	oxidoreductase	0.067	0.1688	1
Trichomonas vaginalis	mercuric reductase, putative	0.0016	0.0011	0.0009
Brugia malayi	glutathione reductase	0.0046	0.0087	0.0518
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0076	0.0164	0.3355
Echinococcus granulosus	histone lysine methyltransferase setb	0.0061	0.0126	0.0736
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0076	0.0164	0.2067
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0225	0.0548	0.0569
Echinococcus multilocularis	microtubule associated protein 2	0.0675	0.1701	1
Echinococcus granulosus	geminin	0.033	0.0816	0.4793
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0422	0.105	0.622
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0037	0.0066	0.0378
Mycobacterium ulcerans	oxidoreductase	0.067	0.1688	0.1679
Loa Loa (eye worm)	oxidoreductase	0.067	0.1688	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0085	0.0492
Schistosoma mansoni	carbonic anhydrase-related	0.0305	0.0752	0.4387
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0061	0.0295
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0085	0.0492
Brugia malayi	Pre-SET motif family protein	0.0061	0.0126	0.0749
Trichomonas vaginalis	aldo-keto reductase, putative	0.067	0.1688	0.1687
Brugia malayi	hypothetical protein	0.0057	0.0117	0.0696
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0305	0.0752	0.4456
Schistosoma mansoni	potassium channel beta	0.0194	0.0468	0.2703
Onchocerca volvulus		0.0035	0.0061	0.0263
Echinococcus multilocularis	integrin beta 2	0.028	0.0688	0.4041
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.067	0.1688	0.9923
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0061	0.0297
Brugia malayi	glutamate-cysteine ligase modifier subunit	0.0194	0.0468	0.2771
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0518	0.1298	0.7618
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0028	0.0042	0.0243
Loa Loa (eye worm)	oxidoreductase	0.067	0.1688	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0061	0.0351
Schistosoma mansoni	hypothetical protein	0.033	0.0816	0.4764
Onchocerca volvulus		0.067	0.1688	0.7495
Mycobacterium tuberculosis	Probable reductase	0.0104	0.0238	0.024
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0016	0.0011	0.0055
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.005	0.0097	0.0235
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0061	0.0059
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.067	0.1688	0.9923
Trypanosoma cruzi	trypanothione reductase, putative	0.0046	0.0087	0.0457
Mycobacterium leprae	PROBABLE OXIDOREDUCTASE	0.067	0.1688	0.6428
Trichomonas vaginalis	aldo-keto reductase, putative	0.067	0.1688	0.1687
Toxoplasma gondii	oxidoreductase, aldo/keto reductase family protein	0.0194	0.0468	0.2765
Loa Loa (eye worm)	oxidoreductase	0.067	0.1688	1
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0037	0.0066	0.0327
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0037	0.0066	0.3574
Schistosoma mansoni	ap endonuclease	0.0037	0.0066	0.0324
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0037	0.0066	0.1199
Brugia malayi	Putative carbonic anhydrase 5 precursor	0.0518	0.1298	0.7692
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0037	0.0066	0.0381
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0104	0.0238	0.024
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0062	0.0129	0.0699
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0037	0.0066	0.0381
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0518	0.1298	0.7678
Leishmania major	aldo-keto reductase-like protein	0.067	0.1688	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0061	0.0126	0.0684
Leishmania major	trypanothione reductase	0.0046	0.0087	0.0457
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0076	0.0164	0.0965
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0104	0.0238	0.024
Trypanosoma cruzi	aldo/keto reductase, putative	0.0194	0.0468	0.2724
Onchocerca volvulus		0.067	0.1688	0.7495
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0104	0.0238	0.0781
Echinococcus multilocularis	carbonic anhydrase	0.0305	0.0752	0.4418
Loa Loa (eye worm)	hypothetical protein	0.0305	0.0752	0.4452
Mycobacterium tuberculosis	Probable oxidoreductase	0.0116	0.0267	0.0272
Trypanosoma cruzi	Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative	0.0142	0.0334	0.1925
Entamoeba histolytica	carbonic anhydrase, putative	0.0215	0.0521	0.2805
Mycobacterium ulcerans	transmembrane carbonic anhydrase, SulP	0.0142	0.0334	0.0323
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0026	0.0037	0.0573
Trichomonas vaginalis	conserved hypothetical protein	0.0194	0.0468	0.0466
Echinococcus granulosus	voltage gated potassium channel subunit	0.0194	0.0468	0.2744
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0076	0.0164	0.0957
Plasmodium vivax	aldehyde reductase, putative	0.0194	0.0468	1
Leishmania major	carbonic anhydrase-like protein	0.0518	0.1298	0.7678
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.005	0.0097	0.0092
Brugia malayi	beta-lactamase family protein	0.0035	0.0061	0.0359
Echinococcus granulosus	aldo keto reductase	0.067	0.1688	0.9923
Trichomonas vaginalis	set domain proteins, putative	0.048	0.12	0.1198
Echinococcus multilocularis	aldo keto reductase	0.067	0.1688	0.9923
Onchocerca volvulus		0.067	0.1688	0.7495
Trypanosoma brucei	trypanothione reductase	0.0046	0.0087	0.0457
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.067	0.1688	0.9923
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0035	0.0061	0.0053
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0046	0.0087	0.0506
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0085	0.0492
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.067	0.1688	0.9923
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0061	0.0126	0.0684
Echinococcus granulosus	carbonic anhydrase	0.0305	0.0752	0.4418
Mycobacterium ulcerans	beta-lactamase	0.0035	0.0061	0.005
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0037	0.0066	0.0378
Echinococcus granulosus	aldo keto reductase	0.067	0.1688	0.9923
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0037	0.0066	0.0055
Onchocerca volvulus		0.048	0.12	0.5325
Trichomonas vaginalis	glutathione reductase, putative	0.0016	0.0011	0.0009
Echinococcus multilocularis	aldo keto reductase	0.067	0.1688	0.9923
Chlamydia trachomatis	sulfate transporter	0.0142	0.0334	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0061	0.0351
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0016	0.0011	0.0055
Schistosoma mansoni	aldo-keto reductase	0.067	0.1688	0.9923
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.067	0.1688	0.9923
Toxoplasma gondii	inorganic anion transporter, sulfate permease (SulP) family protein	0.0142	0.0334	0.197
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0518	0.1298	0.7678
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0076	0.0164	1
Loa Loa (eye worm)	beta-lactamase	0.0035	0.0061	0.0351
Echinococcus multilocularis	voltage gated potassium channel subunit	0.0194	0.0468	0.2744
Onchocerca volvulus		0.0194	0.0468	0.2072
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.067	0.1688	0.9923
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0061	0.0059
Leishmania major	prostaglandin f2-alpha synthase/D-arabinose dehydrogenase	0.067	0.1688	1
Onchocerca volvulus		0.0035	0.0061	0.0263
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0116	0.0267	0.0272
Trichomonas vaginalis	aldo-keto reductase, putative	0.067	0.1688	0.1687
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0046	0.0087	0.0081
Mycobacterium ulcerans	lipase LipD	0.0035	0.0061	0.005
Trichomonas vaginalis	conserved hypothetical protein	0.3914	1	1
Trichomonas vaginalis	aldo/keto reductase, putative	0.067	0.1688	0.1687
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0037	0.0066	0.0058
Plasmodium falciparum	aldehyde reductase, putative	0.0194	0.0468	0.6163
Trypanosoma brucei	aldo-keto reductase, putative	0.067	0.1688	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.067	0.1688	0.9923
Schistosoma mansoni	carbonic anhydrase-related	0.0305	0.0752	0.4387
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0305	0.0752	0.4456
Mycobacterium ulcerans	hypothetical protein	0.0194	0.0468	0.0457
Echinococcus granulosus	peptidase Clp S14 family	0.005	0.0097	0.0564
Schistosoma mansoni	cpg binding protein	0.0028	0.0042	0.0186
Loa Loa (eye worm)	hypothetical protein	0.0305	0.0752	0.4452
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0061	0.0126	0.0736
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0518	0.1298	0.7692
Toxoplasma gondii	aldo-keto reductase	0.0194	0.0468	0.2765
Schistosoma mansoni	peptidase Clp (S14 family)	0.0076	0.0164	0.0907
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.067	0.1688	0.1687
Trichomonas vaginalis	ap endonuclease, putative	0.0037	0.0066	0.0064
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0164	0.0965
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0061	0.0297
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0026	0.0037	0.1708
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0085	0.0439
Onchocerca volvulus		0.0028	0.0042	0.0182
Trypanosoma cruzi	aldo-keto reductase	0.067	0.1688	1
Mycobacterium tuberculosis	Probable lipase LipE	0.0035	0.0061	0.0053
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0085	0.0439
Trypanosoma cruzi	aldo/keto reductase, putative	0.067	0.1688	1
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0061	0.0126	0.0742
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0076	0.0164	0.0957
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0076	0.0164	1
Brugia malayi	Thioredoxin reductase	0.0046	0.0087	0.0518
Schistosoma mansoni	pol-related	0.067	0.1688	0.9923
Echinococcus multilocularis	geminin	0.033	0.0816	0.4793
Toxoplasma gondii	hypothetical protein	0.0305	0.0752	0.4452
Mycobacterium tuberculosis	Probable conserved transmembrane protein	0.1028	0.2605	0.2749
Loa Loa (eye worm)	hypothetical protein	0.0305	0.0752	0.4452
Giardia lamblia	NADH oxidase lateral transfer candidate	0.0016	0.0011	0.0056
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0085	0.0439
Brugia malayi	beta-lactamase	0.0035	0.0061	0.0359
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0061	0.0059
Mycobacterium leprae	Probable transmembrane transport protein	0.1028	0.2605	1
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0026	0.0037	0.0353
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0076	0.0164	0.0495
Echinococcus granulosus	carbonic anhydrase II	0.0518	0.1298	0.7631
Echinococcus granulosus	carbonic anhydrase	0.0305	0.0752	0.4418
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0037	0.0066	0.0327
Brugia malayi	Pre-SET motif family protein	0.0422	0.105	0.6224
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.067	0.1688	0.9923
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0076	0.0164	0.0153
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.067	0.1688	0.9923
Toxoplasma gondii	thioredoxin reductase	0.0046	0.0087	0.051
Loa Loa (eye worm)	hypothetical protein	0.0148	0.035	0.2065
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.0085	0.0504
Mycobacterium tuberculosis	Probable esterase LipL	0.0035	0.0061	0.0053
Entamoeba histolytica	aldose reductase, putative	0.067	0.1688	1
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0305	0.0752	0.4456
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.067	0.1688	0.1687
Brugia malayi	EGF-like domain containing protein	0.0012	0.0001	0.0008
Mycobacterium tuberculosis	Beta-carbonic anhydrase	0.3699	0.9449	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0061	0.0351
Schistosoma mansoni	integrin beta subunit	0.0223	0.0541	0.3137
Brugia malayi	EGF-like domain containing protein	0.0012	0.0001	0.0008
Schistosoma mansoni	hypothetical protein	0.0305	0.0752	0.4387
Echinococcus granulosus	cpg binding protein	0.003	0.0046	0.0265
Brugia malayi	hypothetical protein	0.0148	0.035	0.2072
Trichomonas vaginalis	aldo/keto reductase, putative	0.067	0.1688	0.1687
Trypanosoma brucei	prostaglandin f synthase	0.067	0.1688	1
Echinococcus multilocularis	aldo keto reductase	0.067	0.1688	0.9923
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0518	0.1298	0.7691
Echinococcus granulosus	aldehyde reductase	0.0476	0.119	0.6996
Schistosoma mansoni	cpg binding protein	0.003	0.0046	0.0211
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0016	0.0011	0.0064
Trypanosoma brucei	aldo/keto reductase, putative	0.0194	0.0468	0.2724
Brugia malayi	exodeoxyribonuclease III family protein	0.0037	0.0066	0.0389
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0061	0.0126	0.0736
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0061	0.0059
Entamoeba histolytica	alcohol dehydrogenase, putative	0.0194	0.0468	0.2479
Loa Loa (eye worm)	integrin beta-2	0.0378	0.0939	0.5562
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.067	0.1688	0.9923
Leishmania major	aldo/keto reductase, putative,aldo/keto reductase family-like protein	0.0194	0.0468	0.2724
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0061	0.0351
Brugia malayi	CXXC zinc finger family protein	0.0028	0.0042	0.0251
Echinococcus multilocularis	carbonic anhydrase	0.0305	0.0752	0.4418
Echinococcus granulosus	integrin beta 2	0.028	0.0688	0.4041
Trypanosoma brucei	carbonic anhydrase-like protein	0.0518	0.1298	0.7678
Trichomonas vaginalis	aldo-keto reductase, putative	0.067	0.1688	0.1687
Mycobacterium ulcerans	transmembrane carbonic anhydrase, SulP	0.0142	0.0334	0.0323
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0037	0.0066	0.0327
Brugia malayi	Integrin beta pat-3 precursor	0.0378	0.0939	0.5566
Leishmania major	hypothetical protein, conserved	0.0035	0.0061	0.0297
Echinococcus multilocularis	aldo keto reductase	0.067	0.1688	0.9923
Mycobacterium ulcerans	esterase/lipase LipP	0.0035	0.0061	0.005
Mycobacterium ulcerans	carbonic anhydrase	0.0215	0.0521	0.051
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0518	0.1298	0.7618
Onchocerca volvulus		0.067	0.1688	0.7495
Leishmania major	aldehyde reductase, putative,oxidoreductase, putative	0.067	0.1688	1
Schistosoma mansoni	aldo-keto reductase	0.067	0.1688	0.9923
Echinococcus multilocularis	carbonic anhydrase II	0.0518	0.1298	0.7631
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0035	0.0061	0.0053
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.067	0.1688	0.9923
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.067	0.1688	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.067	0.1688	0.1687
Toxoplasma gondii	ABC1 family protein	0.0035	0.0061	0.0351
Trichomonas vaginalis	aldo-keto reductase, putative	0.0194	0.0468	0.0466

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 1.3 nM	Inhibitory activity against very late antigen-4 (VLA-4) using VCAM-Ig ligand.	ChEMBL.	11844689
IC50 (binding)	= 1.3 nM	Inhibitory activity against very late antigen-4 (VLA-4) using VCAM-Ig ligand.	ChEMBL.	11844689

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.

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External resources for this compound

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 271796