TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 227.236 | Formula: C6H13NO6S
H donors: 5 H acceptors: 6 LogP: -4.53 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: C[C@H]1N[C@H]([C@@H]([C@H]([C@H]1O)O)O)S(=O)(=O)O
InChi: 1S/C6H13NO6S/c1-2-3(8)4(9)5(10)6(7-2)14(11,12)13/h2-10H,1H3,(H,11,12,13)/t2-,3+,4+,5-,6+/m1/s1
InChiKey: YYBFBMWRCGDISH-PHYPRBDBSA-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
Bos taurus	Alpha-L-fucosidase 1	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Brugia malayi	Alpha-L-fucosidase family protein	Get druggable targets OG5_129683	All targets in OG5_129683
Schistosoma japonicum	ko:K01206 alpha-L-fucosidase [EC3.2.1.51], putative	Get druggable targets OG5_129683	All targets in OG5_129683
Mycobacterium ulcerans	alpha-L-fucosidase	Get druggable targets OG5_129683	All targets in OG5_129683
Schistosoma mansoni	alpha-l-fucosidase	Get druggable targets OG5_129683	All targets in OG5_129683
Loa Loa (eye worm)	alpha-L-fucosidase	Get druggable targets OG5_129683	All targets in OG5_129683
Echinococcus multilocularis	fucosidase, alpha L 1, tissue	Get druggable targets OG5_129683	All targets in OG5_129683
Echinococcus granulosus	fucosidase alpha L 1 tissue	Get druggable targets OG5_129683	All targets in OG5_129683

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Onchocerca volvulus		Alpha-L-fucosidase 1	468 aa	432 aa	43.5 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.1067	1
Onchocerca volvulus		0.0016	0.0056	0.5
Schistosoma mansoni	regulator of G protein signaling 3 rgs3	0.0019	0.0108	0.0108
Mycobacterium tuberculosis	Probable cytochrome P450 137 Cyp137	0.0014	0	0.5
Loa Loa (eye worm)	G protein signaling regulator EGL-10	0.0019	0.0108	0.0108
Echinococcus multilocularis	regulator of G protein signaling 7	0.0019	0.0108	0.0108
Trypanosoma cruzi	cysteine peptidase, putative	0.0062	0.1067	1
Echinococcus granulosus	beta-adrenergic receptor kinase	0.0019	0.0108	0.0108
Onchocerca volvulus		0.0016	0.0056	0.5
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0108	0.0108
Mycobacterium tuberculosis	Probable cytochrome P450 130 Cyp130	0.0014	0	0.5
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0016	0.0056	0.0056
Leishmania major	cathepsin L-like protease	0.0062	0.1067	1
Trichomonas vaginalis	alpha-L-fucosidase, putative	0.0206	0.4216	1
Schistosoma mansoni	regulator of G protein signaling	0.0019	0.0108	0.0108
Schistosoma mansoni	regulator of G protein signaling	0.0019	0.0108	0.0108
Brugia malayi	Cathepsin L-like precursor	0.0016	0.0056	0.0056
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.1067	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0062	0.1067	1
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0016	0.0056	0.0056
Mycobacterium tuberculosis	Probable cytochrome P450 123 Cyp123	0.0014	0	0.5
Trichomonas vaginalis	regulator of G protein signaling 5, rgs5, putative	0.0019	0.0108	0.0125
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0056	0.0056
Leishmania major	cathepsin L-like protease	0.0016	0.0056	0.0521
Mycobacterium tuberculosis	Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM)	0.0014	0	0.5
Mycobacterium leprae	putative cytochrome p450	0.0014	0	0.5
Brugia malayi	hypothetical protein	0.0019	0.0108	0.0108
Onchocerca volvulus		0.0016	0.0056	0.5
Schistosoma mansoni	regulator of G protein signaling	0.0019	0.0108	0.0108
Loa Loa (eye worm)	ctsf protein	0.0016	0.0056	0.0056
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0108	0.0108
Trichomonas vaginalis	alpha-L-fucosidase, putative	0.0206	0.4216	1
Brugia malayi	Cathepsin L-like precursor	0.0016	0.0056	0.0056
Brugia malayi	Cathepsin L-like precursor	0.0016	0.0056	0.0056
Brugia malayi	Regulator of G protein signaling domain containing protein	0.0019	0.0108	0.0108
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0016	0.0056	0.0056
Schistosoma mansoni	serine/threonine protein kinase	0.0019	0.0108	0.0108
Loa Loa (eye worm)	cysteine protease	0.0016	0.0056	0.0056
Echinococcus granulosus	fucosidase alpha L 1 tissue	0.0469	1	1
Echinococcus granulosus	axis inhibition protein axin	0.0019	0.0108	0.0108
Echinococcus granulosus	expressed protein	0.0365	0.7716	0.7716
Echinococcus multilocularis	cathepsin L cysteine protease	0.0016	0.0056	0.0056
Brugia malayi	hypothetical protein	0.0019	0.0108	0.0108
Mycobacterium tuberculosis	Possible cytochrome P450 135A1 Cyp135A1	0.0014	0	0.5
Trypanosoma cruzi	cysteine peptidase, putative	0.0062	0.1067	1
Mycobacterium ulcerans	alpha-L-fucosidase	0.0469	1	1
Echinococcus multilocularis	regulator of G protein signaling 3	0.0019	0.0108	0.0108
Plasmodium vivax	vivapain-2	0.0016	0.0056	0.5
Leishmania major	cathepsin L-like protease	0.0016	0.0056	0.0521
Mycobacterium tuberculosis	Probable cytochrome P450 128 Cyp128	0.0014	0	0.5
Leishmania major	cathepsin L-like protease	0.0016	0.0056	0.0521
Brugia malayi	Cathepsin L-like precursor	0.0016	0.0056	0.0056
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0016	0.0056	0.5
Loa Loa (eye worm)	AGC/GRK/BARK protein kinase	0.0019	0.0108	0.0108
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0016	0.0056	0.0056
Mycobacterium tuberculosis	Possible cytochrome P450 135B1 Cyp135B1	0.0014	0	0.5
Onchocerca volvulus		0.0016	0.0056	0.5
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0108	0.0108
Trypanosoma cruzi	cysteine peptidase, putative	0.0016	0.0056	0.0521
Mycobacterium tuberculosis	Probable cytochrome P450 139 Cyp139	0.0014	0	0.5
Echinococcus multilocularis	axis inhibition protein axin	0.0019	0.0108	0.0108
Brugia malayi	Cathepsin L-like precursor	0.0016	0.0056	0.0056
Leishmania major	cathepsin L-like protease	0.0016	0.0056	0.0521
Plasmodium vivax	vivapain-2	0.0016	0.0056	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0019	0.0108	0.0125
Onchocerca volvulus	Cathepsin L homolog	0.0016	0.0056	0.5
Onchocerca volvulus		0.0016	0.0056	0.5
Trypanosoma cruzi	cysteine peptidase, putative	0.0062	0.1067	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.1067	1
Onchocerca volvulus		0.0016	0.0056	0.5
Echinococcus granulosus	regulator of G protein signaling 3	0.0019	0.0108	0.0108
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.1067	1
Brugia malayi	Cathepsin L-like precursor	0.0016	0.0056	0.0056
Brugia malayi	Regulator of G protein signaling domain containing protein	0.0019	0.0108	0.0108
Schistosoma mansoni	z-protein (S1r protein)	0.0019	0.0108	0.0108
Schistosoma mansoni	regulator of G protein signaling 17 19 20 (rgs17 19 20)	0.0019	0.0108	0.0108
Leishmania major	cathepsin L-like protease	0.0062	0.1067	1
Brugia malayi	PXA domain containing protein	0.0019	0.0108	0.0108
Schistosoma mansoni	regulator of G protein signaling 17 19 20 (rgs17 19 20)	0.0019	0.0108	0.0108
Trichomonas vaginalis	conserved hypothetical protein	0.0019	0.0108	0.0125
Entamoeba histolytica	hypothetical protein	0.0019	0.0108	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0016	0.0056	0.0056
Brugia malayi	regulator of G-protein signaling egl-10	0.0019	0.0108	0.0108
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0057	0.0948	0.8885
Echinococcus granulosus	A kinase anchor protein 10 mitochondrial	0.0019	0.0108	0.0108
Schistosoma mansoni	axis inhibition protein axin	0.0019	0.0108	0.0108
Mycobacterium tuberculosis	Probable cytochrome P450 141 Cyp141	0.0014	0	0.5
Echinococcus multilocularis	fucosidase, alpha L 1, tissue	0.0469	1	1
Echinococcus granulosus	axis inhibition protein axin	0.0019	0.0108	0.0108
Echinococcus multilocularis	cysteine protease	0.0016	0.0056	0.0056
Mycobacterium tuberculosis	Probable cytochrome P450 138 Cyp138	0.0014	0	0.5
Entamoeba histolytica	hypothetical protein	0.0019	0.0108	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0016	0.0056	0.5
Trypanosoma cruzi	major cysteine proteinase, putative	0.0049	0.0773	0.7249
Mycobacterium tuberculosis	Probable cytochrome P450 143 Cyp143	0.0014	0	0.5
Mycobacterium tuberculosis	Probable cytochrome P450 140 Cyp140	0.0014	0	0.5
Brugia malayi	Probable G protein-coupled receptor kinase F19C6.1, putative	0.0019	0.0108	0.0108
Brugia malayi	Papain family cysteine protease containing protein	0.0016	0.0056	0.0056
Mycobacterium tuberculosis	Probable cytochrome P450 monooxygenase 142 Cyp142	0.0014	0	0.5
Schistosoma mansoni	cathepsin F (C01 family)	0.0016	0.0056	0.0056
Leishmania major	cathepsin L-like protease	0.0062	0.1067	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.1067	1
Loa Loa (eye worm)	AGC/GRK/GRK protein kinase	0.0019	0.0108	0.0108
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0108	0.0108
Brugia malayi	A-kinase anchor protein 10, precursor	0.0019	0.0108	0.0108
Brugia malayi	PXA domain containing protein	0.0019	0.0108	0.0108
Leishmania major	cathepsin L-like protease	0.0016	0.0056	0.0521
Schistosoma mansoni	regulator of G protein signaling	0.0019	0.0108	0.0108
Echinococcus multilocularis	cathepsin L cysteine protease	0.0016	0.0056	0.0056
Mycobacterium tuberculosis	Probable cytochrome P450 132 Cyp132	0.0014	0	0.5
Onchocerca volvulus	Cathepsin F homolog	0.0016	0.0056	0.5
Mycobacterium leprae	Conserved hypothetical protein	0.0014	0	0.5
Entamoeba histolytica	hypothetical protein	0.0019	0.0108	1
Schistosoma mansoni	alpha-l-fucosidase	0.0469	1	1
Echinococcus granulosus	regulator of G protein signaling 7	0.0019	0.0108	0.0108
Mycobacterium tuberculosis	Probable cytochrome P450 124 Cyp124	0.0014	0	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.1067	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.1067	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.1067	1
Trichomonas vaginalis	conserved hypothetical protein	0.0019	0.0108	0.0125
Mycobacterium tuberculosis	Possible cytochrome P450 126 Cyp126	0.0014	0	0.5
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0016	0.0056	0.0056
Brugia malayi	Cytochrome P450 family protein	0.0051	0.082	0.082
Echinococcus multilocularis	regulator of G protein signaling	0.0019	0.0108	0.0108
Onchocerca volvulus		0.0016	0.0056	0.5
Echinococcus multilocularis	regulator of G protein signaling 3	0.0019	0.0108	0.0108
Schistosoma mansoni	serine/threonine protein kinase	0.0019	0.0108	0.0108
Echinococcus granulosus	regulator of G protein signaling 7	0.0019	0.0108	0.0108
Echinococcus multilocularis	expressed protein	0.0365	0.7716	0.7716
Echinococcus multilocularis	regulator of G protein signaling 7	0.0019	0.0108	0.0108
Mycobacterium tuberculosis	Cytochrome P450 121 Cyp121	0.0014	0	0.5
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0016	0.0056	0.5
Leishmania major	cysteine peptidase A (CPA)	0.0016	0.0056	0.0521
Echinococcus granulosus	cathepsin l1	0.0016	0.0056	0.0056
Echinococcus multilocularis	axis inhibition protein axin	0.0019	0.0108	0.0108
Echinococcus granulosus	Regulator of G protein signaling 20	0.0019	0.0108	0.0108
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.1067	1
Trichomonas vaginalis	conserved hypothetical protein	0.0019	0.0108	0.0125
Schistosoma mansoni	axis inhibition protein axin	0.0019	0.0108	0.0108
Echinococcus granulosus	regulator of G protein signaling 3	0.0019	0.0108	0.0108
Brugia malayi	regulator of G-protein signaling rgs-7	0.0019	0.0108	0.0108
Echinococcus multilocularis	Regulator of G protein signaling 20	0.0019	0.0108	0.0108
Schistosoma mansoni	regulator of G protein signaling	0.0019	0.0108	0.0108
Loa Loa (eye worm)	cytochrome P450 family protein	0.0051	0.082	0.082
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0108	0.0108
Toxoplasma gondii	cathepsin CPL	0.0016	0.0056	1
Echinococcus multilocularis	cysteine protease	0.0016	0.0056	0.0056
Onchocerca volvulus	Cathepsin L homolog	0.0016	0.0056	0.5
Echinococcus multilocularis	beta adrenergic receptor kinase	0.0019	0.0108	0.0108
Loa Loa (eye worm)	fibroinase	0.0016	0.0056	0.0056
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0108	0.0108
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.1067	1
Loa Loa (eye worm)	RGS-3 protein	0.0019	0.0108	0.0108
Echinococcus multilocularis	A kinase anchor protein 10, mitochondrial	0.0019	0.0108	0.0108
Loa Loa (eye worm)	PXA domain-containing protein	0.0019	0.0108	0.0108
Trichomonas vaginalis	conserved hypothetical protein	0.0019	0.0108	0.0125
Loa Loa (eye worm)	alpha-L-fucosidase	0.0469	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0019	0.0108	0.0125
Mycobacterium tuberculosis	Probable cytochrome P450 125 Cyp125	0.0014	0	0.5
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0016	0.0056	0.0056
Mycobacterium tuberculosis	Probable cytochrome P450 144 Cyp144	0.0014	0	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.1067	1
Schistosoma mansoni	serine/threonine protein kinase	0.0019	0.0108	0.0108
Mycobacterium tuberculosis	Probable cytochrome P450 136 Cyp136	0.0014	0	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 13 uM	Inhibition of bovine alpha-L-fucosidase	ChEMBL.	16376079
Ki (binding)	= 13 uM	Inhibition of bovine alpha-L-fucosidase	ChEMBL.	16376079

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

No external resources registered for this compound

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 353429