Detailed information for compound 205287

Basic information

Technical information
  • TDR Targets ID: 205287
  • Name: 3-amino-4-sulfanylbutane-1-sulfonamide
  • MW: 184.28 | Formula: C4H12N2O2S2
  • H donors: 2 H acceptors: 2 LogP: -1.3 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: SCC(CCS(=O)(=O)N)N
  • InChi: 1S/C4H12N2O2S2/c5-4(3-9)1-2-10(6,7)8/h4,9H,1-3,5H2,(H2,6,7,8)
  • InChiKey: VJPTURNLUNYYNU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-amino-4-sulfanyl-butane-1-sulfonamide
  • 3-amino-4-mercapto-1-butanesulfonamide
  • 3-azanyl-4-sulfanyl-butane-1-sulfonamide
  • 3-amino-4-mercapto-butane-1-sulfonamide
  • 3-amino-4-mercaptobutane-1-sulfonamide

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0017 0.0362 0.5
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0012 0.0051 0.0065
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0017 0.0362 0.5
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0037 0.1757 0.9652
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0037 0.1757 0.9652
Echinococcus multilocularis caspase 8 0.0037 0.1757 0.227
Echinococcus multilocularis GPCR, family 2 0.0033 0.1495 0.1932
Schistosoma mansoni hypothetical protein 0.0033 0.1495 0.1495
Schistosoma mansoni hypothetical protein 0.0033 0.1495 0.1495
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.2599 0.2599
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase 0.0037 0.1757 0.227
Plasmodium vivax metacaspase 1, putative 0.0037 0.1757 0.6294
Loa Loa (eye worm) hypothetical protein 0.0071 0.4173 0.5392
Trypanosoma brucei metacaspase 5, putative 0.0037 0.1757 0.6294
Giardia lamblia NADH oxidase lateral transfer candidate 0.0017 0.0362 0.5
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0123 0.7784 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0033 0.1495 0.1932
Plasmodium vivax glutathione reductase, putative 0.0049 0.2578 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0104 0.648 0.8374
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0017 0.0362 0.5
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0033 0.1495 0.1932
Loa Loa (eye worm) glutathione reductase 0.0049 0.2578 0.3331
Schistosoma mansoni caspase-3 (C14 family) 0.0037 0.1757 0.1757
Loa Loa (eye worm) hypothetical protein 0.0033 0.1495 0.1932
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0049 0.2599 0.3359
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0017 0.0362 0.5
Plasmodium vivax thioredoxin reductase, putative 0.0049 0.2578 1
Echinococcus granulosus GPCR family 2 0.0033 0.1495 0.1932
Loa Loa (eye worm) hypothetical protein 0.0035 0.1621 0.2095
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0104 0.648 0.8374
Trypanosoma cruzi trypanothione reductase, putative 0.0049 0.2578 1
Trypanosoma cruzi metacaspase 5, putative 0.0037 0.1757 0.6294
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0033 0.1495 0.1932
Brugia malayi mucosa associated lymphoid tissue lymphoma translocation protein 1 0.0037 0.1757 0.227
Mycobacterium tuberculosis Probable dehydrogenase 0.0111 0.6921 0.8837
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.2599 0.3359
Brugia malayi POT family protein 0.0045 0.2327 0.3007
Plasmodium vivax hypothetical protein, conserved 0.0037 0.1757 0.6294
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0037 0.1757 0.9652
Brugia malayi Cell death protein 3 precursor 0.0122 0.7739 1
Echinococcus granulosus apoptotic protease activating factor 1 0.0086 0.517 0.668
Schistosoma mansoni hypothetical protein 0.0086 0.517 0.517
Schistosoma mansoni hypothetical protein 0.0071 0.4173 0.4173
Mycobacterium tuberculosis Probable reductase 0.0111 0.6921 0.8837
Trypanosoma brucei metacaspase 0.0037 0.1757 0.6294
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0037 0.1757 0.9652
Trypanosoma cruzi metacaspase, putative 0.0037 0.1757 0.6294
Echinococcus granulosus caspase 3 apoptosis cysteine peptidase 0.0037 0.1757 0.227
Schistosoma mansoni voltage-gated potassium channel 0.0044 0.2249 0.2249
Trichomonas vaginalis conserved hypothetical protein 0.0037 0.1757 0.9652
Mycobacterium tuberculosis Probable oxidoreductase 0.0123 0.7784 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0017 0.0362 0.5
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0037 0.1757 0.9652
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0049 0.2578 0.2985
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0111 0.6921 0.8837
Trichomonas vaginalis conserved hypothetical protein 0.0037 0.1757 0.9652
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0037 0.1807 1
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0037 0.1757 0.9652
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.004 0.1992 0.2574
Treponema pallidum NADH oxidase 0.0017 0.0362 0.5
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0017 0.0362 0.0468
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0017 0.0362 0.5
Schistosoma mansoni hypothetical protein 0.0033 0.1495 0.1495
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.2599 0.3359
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0033 0.1495 0.1932
Schistosoma mansoni caspase-7 (C14 family) 0.0122 0.7739 0.7739
Plasmodium falciparum thioredoxin reductase 0.0049 0.2578 1
Loa Loa (eye worm) hypothetical protein 0.0104 0.648 0.8374
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.2599 0.3359
Toxoplasma gondii thioredoxin reductase 0.0049 0.2578 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0111 0.6921 0.8837
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0017 0.0362 0.0362
Leishmania major metacaspase, putative 0.0037 0.1757 0.6294
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0017 0.0362 0.0468
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.2599 0.2599
Trypanosoma cruzi metacaspase 5, putative 0.0037 0.1757 0.6294
Echinococcus granulosus caspase 2 0.0122 0.7739 1
Trypanosoma brucei trypanothione reductase 0.0049 0.2578 1
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0037 0.1757 0.6294
Onchocerca volvulus Cell death protein 3 homolog 0.0122 0.7739 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0049 0.2599 0.3359
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0123 0.7784 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0049 0.2578 0.3331
Trichomonas vaginalis conserved hypothetical protein 0.0037 0.1757 0.9652
Plasmodium falciparum metacaspase 1 0.0037 0.1757 0.6294
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0037 0.1757 0.9652
Trypanosoma cruzi metacaspase, putative 0.0037 0.1757 0.6294
Leishmania major trypanothione reductase 0.0049 0.2578 1
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0037 0.1757 0.9652
Trypanosoma cruzi metacaspase, putative 0.0037 0.1757 0.6294
Schistosoma mansoni caspase-7 (C14 family) 0.0037 0.1757 0.1757
Trypanosoma brucei metacaspase MCA2 0.0037 0.1757 0.6294
Echinococcus granulosus potassium voltage gated channel subfamily H 0.004 0.1992 0.2574
Loa Loa (eye worm) POT family protein 0.0045 0.2327 0.3007
Trichomonas vaginalis conserved hypothetical protein 0.0037 0.1757 0.9652
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0017 0.0362 0.0468
Brugia malayi Thioredoxin reductase 0.0049 0.2578 0.3331
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.2599 0.2599
Schistosoma mansoni subfamily C14A unassigned peptidase (C14 family) 0.0037 0.1757 0.1757
Schistosoma mansoni hypothetical protein 0.0033 0.1495 0.1495
Trypanosoma cruzi metacaspase, putative 0.0037 0.1757 0.6294
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0037 0.1757 0.9652
Trypanosoma brucei Metacaspase-4 0.0037 0.1757 0.6294
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0033 0.1495 0.1932
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0037 0.1807 1
Echinococcus granulosus caspase 0.0037 0.1757 0.227
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0104 0.648 0.8374
Trichomonas vaginalis conserved hypothetical protein 0.0037 0.1757 0.9652
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0037 0.1757 0.6294
Loa Loa (eye worm) thioredoxin reductase 0.0049 0.2578 0.3331
Echinococcus multilocularis caspase 0.0037 0.1757 0.227
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0111 0.6921 0.8837
Plasmodium falciparum metacaspase-like protein 0.0037 0.1757 0.6294
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.004 0.1992 0.2574
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0123 0.7784 1
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0037 0.1757 0.6294
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.2599 0.3359
Schistosoma mansoni voltage-gated potassium channel 0.0044 0.2249 0.2249
Brugia malayi hypothetical protein 0.0086 0.517 0.668
Echinococcus multilocularis caspase 2 0.0122 0.7739 1
Trichomonas vaginalis conserved hypothetical protein 0.0037 0.1757 0.9652
Plasmodium falciparum glutathione reductase 0.0049 0.2578 1
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.004 0.1992 0.2574
Loa Loa (eye worm) hypothetical protein 0.0037 0.1757 0.227
Loa Loa (eye worm) hypothetical protein 0.0122 0.7739 1
Trypanosoma brucei metacaspase MCA3 0.0037 0.1757 0.6294
Echinococcus multilocularis apoptotic protease activating factor 1 0.0086 0.517 0.668
Echinococcus granulosus caspase 8 0.0037 0.1757 0.227
Brugia malayi Latrophilin receptor protein 2 0.0033 0.1495 0.1932
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0111 0.6921 0.8837
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0012 0.0051 0.0065
Echinococcus granulosus thioredoxin glutathione reductase 0.0049 0.2578 0.3331
Brugia malayi glutathione reductase 0.0049 0.2578 0.3331
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0033 0.1495 0.1932
Loa Loa (eye worm) hypothetical protein 0.0086 0.517 0.668
Brugia malayi latrophilin 2 splice variant baaae 0.0071 0.4173 0.5392

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 100 uM Binding affinity against S1 subsite of the Tetanus neurotoxin (TeNt) ChEMBL. 9719598

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

Bibliographic References

1 literature reference was collected for this gene.

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