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targets (24)
for drugs
Identification
Name 1,4-Dithiothreitol
Accession Number DB04447 (EXPT01291)
Type small molecule
Groups experimental
Description

A reagent commonly used in biochemical studies as a protective agent to prevent the oxidation of SH (thiol) groups and for reducing disulphides to dithiols. [PubChem]
Structure Thumb
Download: MOL | SDF | SMILES | InChI
Display: 2D Structure | 3D Structure
Synonyms Not Available
Salts Not Available
Brand names Not Available
Brand mixtures Not Available
Categories Not Available
CAS number Not Available
Weight Average: 154.251
Monoisotopic: 154.012220944
Chemical Formula C4H10O2S2
InChI Key InChIKey=VHJLVAABSRFDPM-QWWZWVQMSA-N
InChI
InChI=1S/C4H10O2S2/c5-3(1-7)4(6)2-8/h3-8H,1-2H2/t3-,4-/m1/s1
Plain Text
IUPAC Name
(2S,3S)-1,4-disulfanylbutane-2,3-diol
SMILES
O[C@H](CS)[C@H](O)CS
Plain Text
Mass Spec Not Available
Taxonomy
Kingdom Not Available
Classes Not Available
Substructures Not Available
Pharmacology
Indication Not Available
Pharmacodynamics Not Available
Mechanism of action Not Available
Absorption Not Available
Volume of distribution Not Available
Protein binding Not Available
Metabolism Not Available
Route of elimination Not Available
Half life Not Available
Clearance Not Available
Toxicity Not Available
Affected organisms Not Available
Pathways Not Available
Pharmacoeconomics
Manufacturers Not Available
Packagers Not Available
Dosage forms Not Available
Prices Not Available
Patents Not Available
Properties
State solid
Experimental Properties Not Available
Predicted Properties
Property Value Source
water solubility 5.14e+00 g/l ALOGPS
logP 0.18 ALOGPS
logP -0.28 ChemAxon
logS -1.5 ALOGPS
pKa (strongest acidic) 9.62 ChemAxon
pKa (strongest basic) -3.3 ChemAxon
physiological charge 0 ChemAxon
hydrogen acceptor count 2 ChemAxon
hydrogen donor count 4 ChemAxon
polar surface area 40.46 ChemAxon
rotatable bond count 3 ChemAxon
refractivity 38.84 ChemAxon
polarizability 15.67 ChemAxon
References
Synthesis Reference Not Available
General Reference Not Available
External Links
Resource Link
PubChem Compound 446094 Link_out
PubChem Substance 46505212 Link_out
ChEBI 18320 Link_out
ChEMBL 18320 Link_out
HET DTT Link_out
ATC Codes Not Available
AHFS Codes Not Available
PDB Entries
FDA label Not Available
MSDS Not Available
Interactions
Drug Interactions Not Available
Food Interactions Not Available
Targets

1. Protease synthase and sporulation negative regulatory protein PAI 1

Pharmacological action: unknown

Possesses N1-acetyltransferase activity toward polyamine substrates including spermidine and spermine. capable of acetylating both spermidine and spermine. In this way it may function in regulating intracellular polyamine concentrations and/or binding capabilities. In addition to preventing toxicity due to polyamine excess, this function may also serve to regulate expression of certain bacterial gene products such as those involved in sporulation

Organism class: bacterial
UniProt ID: P21340 Link_out
Gene: paiA
Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out

References:
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. Pubmed
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. Pubmed

2. Holo-[acyl-carrier-protein] synthase

Pharmacological action: unknown

Transfers the 4'-phosphopantetheine moiety from coenzyme A to a Ser of fatty acid acyl-carrier-protein ACP. Also modifies the D-alanyl carrier protein but fails to recognize PCP and acpK, an acyl carrier protein of secondary metabolism

Organism class: bacterial
UniProt ID: P96618 Link_out
Gene: acpS
Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out

References:
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. Pubmed
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. Pubmed

3. Histidinol dehydrogenase

Pharmacological action: unknown

Catalyzes the sequential NAD-dependent oxidations of L- histidinol to L-histidinaldehyde and then to L-histidine

Organism class: bacterial
UniProt ID: P06988 Link_out
Gene: hisD
Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out

References:
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. Pubmed
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. Pubmed

4. Shikimate dehydrogenase

Pharmacological action: unknown

Shikimate + NADP(+) = 3-dehydroshikimate + NADPH

Organism class: bacterial
UniProt ID: P15770 Link_out
Gene: aroE
Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out

References:
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. Pubmed
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. Pubmed

5. Galectin-1

Pharmacological action: unknown
Organism class: human
UniProt ID: P09382 Link_out
Gene: LGALS1
SNPs: SNPJam Report Link_out

References:
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. Pubmed
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. Pubmed
  3. Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. Pubmed

6. Calcium/calmodulin-dependent protein kinase type II alpha chain

Pharmacological action: unknown

CaM-kinase II (CAMK2) is a prominent kinase in the central nervous system that may function in long-term potentiation and neurotransmitter release. Member of the NMDAR signaling complex in excitatory synapses it may regulate NMDAR-dependent potentiation of the AMPAR and synaptic plasticity (By similarity)

Organism class: human
UniProt ID: Q9UQM7 Link_out
Gene: CAMK2A Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out

References:
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. Pubmed
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. Pubmed
  3. Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. Pubmed

7. 50S ribosomal protein L27

Pharmacological action: unknown

Found on the solvent side of the large subunit

Organism class: bacterial
UniProt ID: P60493 Link_out
Gene: rpmA
Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out

8. Retinal dehydrogenase 1

Pharmacological action: unknown

Binds free retinal and cellular retinol-binding protein- bound retinal. Can convert/oxidize retinaldehyde to retinoic acid

Organism class: human
UniProt ID: P00352 Link_out
Gene: ALDH1A1 Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out

References:
  1. Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. Pubmed

9. Organic hydroperoxide resistance protein

Pharmacological action: unknown
Organism class: bacterial
UniProt ID: Q9HZZ3 Link_out
Gene: ohr
Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out

10. 3-carboxy-cis,cis-muconate cycloisomerase

Pharmacological action: unknown

Catalyzes an anti cycloisomerization

Organism class: bacterial
UniProt ID: P32427 Link_out
Gene: pcaB
Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out

11. Transient receptor potential cation channel subfamily M member 7

Pharmacological action: unknown
Organism class: human
UniProt ID: Q96QT4 Link_out
Gene: TRPM7
SNPs: SNPJam Report Link_out

References:
  1. Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. Pubmed

12. Unsaturated glucuronyl hydrolase

Pharmacological action: unknown

Catalyzes the hydrolysis of oligosaccharides with unsaturated glucuronyl residues at the nonreducing terminal, to a sugar or an amino sugar, and an unsaturated D-glucuronic acid (GlcA), which is nonenzymatically converted immediately to alpha- keto acid

Organism class: bacterial
UniProt ID: Q9RC92 Link_out
Gene: ugl
Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out

13. Molybdenum cofactor biosynthesis protein A

Pharmacological action: unknown

Together with moaC, is involved in the conversion of a guanosine derivative (5'-GTP) into molybdopterin precursor Z (By similarity)

Organism class: bacterial
UniProt ID: P65389 Link_out
Gene: moaA
Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out

14. C protein alpha-antigen

Pharmacological action: unknown

May play a role in both virulence and immunity

Organism class: bacterial
UniProt ID: Q02192 Link_out
Gene: bca
Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out

15. Peptide methionine sulfoxide reductase

Pharmacological action: unknown

Has an important function as a repair enzyme for proteins that have been inactivated by oxidation. Catalyzes the reversible oxidation-reduction of methionine sulfoxide in proteins to methionine

Organism class: human
UniProt ID: Q9UJ68 Link_out
Gene: MSRA Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out

References:
  1. Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. Pubmed

16. Chaperone protein torD

Pharmacological action: unknown

Involved in the biogenesis of torA. Acts on torA before the insertion of the molybdenum cofactor and, as a result, probably favors a conformation of the apoenzyme that is competent for acquiring the cofactor

Organism class: bacterial
UniProt ID: O87949 Link_out
Gene: torD
Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out

17. Axin-1

Pharmacological action: unknown

Inhibitor of the Wnt signaling pathway. Down-regulates beta-catenin. Probably facilitate the phosphorylation of beta- catenin and APC by GSK3B. Likely to function as a tumor suppressor. Facilitates the phosphorylation of TP53 by HIPK2 upon ultraviolet irradiation. Wild-type axin 1 can induce apoptosis in hepatocellular and colorectal cancer cells. Enhances TGF-beta signaling by recruiting the RNF111 E3 ubiquitin ligase and promoting the degradation of inhibitory SMAD7

Organism class: human
UniProt ID: O15169 Link_out
Gene: AXIN1
Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out

18. Peptidyl-prolyl cis-trans isomerase B

Pharmacological action: unknown

PPIases accelerate the folding of proteins. It catalyzes the cis-trans isomerization of proline imidic peptide bonds in oligopeptides

Organism class: human
UniProt ID: P23284 Link_out
Gene: PPIB Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out

References:
  1. Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. Pubmed

19. Amylosucrase

Pharmacological action: unknown

Catalyzes the synthesis of alpha-glucan from sucrose. Catalyzes, in addition, sucrose hydrolysis, maltose and maltotriose synthesis by successive transfers of the glucosyl moiety of sucrose onto the released glucose, and finally turanose and trehalulose synthesis, these two sucrose isomers being obtained by glucosyl transfer onto fructose

Organism class: bacterial
UniProt ID: Q9ZEU2 Link_out
Gene: ams
Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out

20. Thymidylate synthase

Pharmacological action: unknown

Provides the sole de novo source of dTMP for DNA biosynthesis. This protein also binds to its mRNA thus repressing its own translation

Organism class: bacterial
UniProt ID: P0A884 Link_out
Gene: thyA
Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out

References:
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. Pubmed
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. Pubmed

21. Triosephosphate isomerase

Pharmacological action: unknown

D-glyceraldehyde 3-phosphate = glycerone phosphate

Organism class: human
UniProt ID: P60174 Link_out
Gene: TPI1 Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out

References:
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. Pubmed
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. Pubmed
  3. Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. Pubmed

22. Maleylacetoacetate isomerase

Pharmacological action: unknown

Bifunctional enzyme showing minimal glutathione- conjugating activity with ethacrynic acid and 7-chloro-4- nitrobenz-2-oxa-1,3-diazole and maleylacetoacetate isomerase activity. Has also low glutathione peroxidase activity with T- butyl and cumene hydroperoxides. Is able to catalyze the glutathione dependent oxygenation of dichloroacetic acid to glyoxylic acid

Organism class: human
UniProt ID: O43708 Link_out
Gene: GSTZ1 Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out

References:
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. Pubmed
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. Pubmed

23. 3-hydroxy-3-methylglutaryl-coenzyme A reductase

Pharmacological action: unknown

This transmembrane glycoprotein is involved in the control of cholesterol biosynthesis. It is the rate-limiting enzyme of sterol biosynthesis

Organism class: human
UniProt ID: P04035 Link_out
Gene: HMGCR Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out

References:
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. Pubmed
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. Pubmed

24. Listeriolysin regulatory protein

Pharmacological action: unknown

Positively regulates expression of listeriolysin, of 1- phosphadidylinositol phosphodiesterase (PI-PLC) and other virulence factors

Organism class: bacterial
UniProt ID: P22262 Link_out
Gene: prfA
Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out

References:
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. Pubmed
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. Pubmed
Comments
Drug created on June 13, 2005 07:24 / Updated on February 08, 2013 16:23