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targets (40) enzymes (1)
for drugs
Identification
Name 2-(N-Morpholino)-Ethanesulfonic Acid
Accession Number DB03814 (EXPT02154)
Type small molecule
Groups experimental
Description Not Available
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: 195.237
Monoisotopic: 195.056528599
Chemical Formula C6H13NO4S
InChI Key InChIKey=SXGZJKUKBWWHRA-UHFFFAOYSA-N
InChI
InChI=1S/C6H13NO4S/c8-12(9,10)6-3-7-1-4-11-5-2-7/h1-6H2,(H,8,9,10)
Plain Text
IUPAC Name
4-(2-sulfonatoethyl)morpholin-4-ium
SMILES
[O-]S(=O)(=O)CC[NH+]1CCOCC1
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 4.58e+00 g/l ALOGPS
logP -0.87 ALOGPS
logP -2.5 ChemAxon
logS -1.7 ALOGPS
pKa (strongest acidic) -1.5 ChemAxon
pKa (strongest basic) 6.51 ChemAxon
physiological charge -1 ChemAxon
hydrogen acceptor count 4 ChemAxon
hydrogen donor count 1 ChemAxon
polar surface area 70.87 ChemAxon
rotatable bond count 3 ChemAxon
refractivity 53.64 ChemAxon
polarizability 18.67 ChemAxon
References
Synthesis Reference Not Available
General Reference Not Available
External Links
Resource Link
PubChem Compound 4478249 Link_out
PubChem Substance 46507795 Link_out
ChEBI 39408 Link_out
ChEMBL 39408 Link_out
HET MES 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. Acetylcholinesterase

Pharmacological action: unknown

Rapidly hydrolyzes choline released into the synapse

Organism class: human
UniProt ID: P22303 Link_out
Gene: ACHE 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

2. Glucosamine--fructose-6-phosphate aminotransferase [isomerizing]

Pharmacological action: unknown

Catalyzes the first step in hexosamine metabolism, converting fructose-6P into glucosamine-6P using glutamine as a nitrogen source

Organism class: bacterial
UniProt ID: P17169 Link_out
Gene: glmS
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. Dihydrofolate reductase

Pharmacological action: unknown

5,6,7,8-tetrahydrofolate + NADP(+) = 7,8- dihydrofolate + NADPH

Organism class: fungal
UniProt ID: P22906 Link_out
Gene: DFR1
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. Copper-containing nitrite reductase

Pharmacological action: unknown

Nitric oxide + H(2)O + ferricytochrome c = nitrite + ferrocytochrome c + 2 H(+)

Organism class: bacterial
UniProt ID: P25006 Link_out
Gene: nirK
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. Corticosteroid 11-beta-dehydrogenase isozyme 1

Pharmacological action: unknown

Catalyzes reversibly the conversion of cortisol to the inactive metabolite cortisone. Catalyzes reversibly the conversion of 7-ketocholesterol to 7-beta-hydroxycholesterol. In intact cells, the reaction runs only in one direction, from 7- ketocholesterol to 7-beta-hydroxycholesterol

Organism class: human
UniProt ID: P28845 Link_out
Gene: HSD11B1 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

6. Bifunctional protein glmU [Includes: UDP-N-acetylglucosamine pyrophosphorylase

Pharmacological action: unknown

Catalyzes the last two sequential reactions in the de novo biosynthetic pathway for UDP-GlcNAc. Responsible for the acetylation of Glc-N-1-P to give GlcNAc-1-P and for the uridyl transfer from UTP to GlcNAc-1-P which produces UDP-GlcNAc

Organism class: bacterial
UniProt ID: P0ACC7 Link_out
Gene: glmU
Protein 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

7. Hydroxylamine reductase

Pharmacological action: unknown

Catalyzes the reduction of hydroxylamine to form NH(3) and H(2)O

Organism class: bacterial
UniProt ID: Q01770 Link_out
Gene: hcp
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

8. Diaminopimelate decarboxylase

Pharmacological action: unknown

Meso-2,6-diaminoheptanedioate = L-lysine + CO(2)

Organism class: bacterial
UniProt ID: P00861 Link_out
Gene: lysA
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

9. Putative family 31 glucosidase yicI

Pharmacological action: unknown
Organism class: bacterial
UniProt ID: P31434 Link_out
Gene: yicI
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

10. Limonene-1,2-epoxide hydrolase

Pharmacological action: unknown

Limonene-1,2-epoxide + H(2)O = limonene-1,2- diol

Organism class: bacterial
UniProt ID: Q9ZAG3 Link_out
Gene: limA
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

11. Mannan endo-1,4-beta-mannosidase

Pharmacological action: unknown

Hydrolyzes mannan and galactomannan, but displays little activity towards other polysaccharides located in the plant cell wall. Preferentially hydrolyzes the larger oligosaccharides

Organism class: bacterial
UniProt ID: P49424 Link_out
Gene: manA
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

12. Beta-1,4-galactosyltransferase 1

Pharmacological action: unknown

The cell surface form functions as a recognition molecule during a variety of cell to cell and cell to matrix interactions, as those occurring during development and egg fertilization, by binding to specific oligosaccharide ligands on opposing cells or in the extracellular matrix

Organism class: human
UniProt ID: P15291 Link_out
Gene: B4GALT1 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

13. Tyrosine-protein kinase transforming protein Abl

Pharmacological action: unknown

ATP + a [protein]-L-tyrosine = ADP + a [protein]-L-tyrosine phosphate

Organism class: viral
UniProt ID: P00521 Link_out
Gene: ABL
Protein 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

14. Thiol:disulfide interchange protein dsbC precursor

Pharmacological action: unknown

Required for disulfide bond formation in some periplasmic proteins. Acts by transferring its disulfide bond to other proteins and is reduced in the process. DsbC is reoxidized by a yet uncharacterized protein. Also acts as a disulfide isomerase

Organism class: bacterial
UniProt ID: P0AEG6 Link_out
Gene: dsbC
Protein 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

15. Glyceraldehyde-3-phosphate dehydrogenase A

Pharmacological action: unknown

D-glyceraldehyde 3-phosphate + phosphate + NAD(+) = 3-phospho-D-glyceroyl phosphate + NADH

Organism class: bacterial
UniProt ID: P0A9B2 Link_out
Gene: gapA
Protein 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

16. L(+)-mandelate dehydrogenase

Pharmacological action: unknown

Reduction of L(+)-mandelate to benzoylformate

Organism class: bacterial
UniProt ID: P20932 Link_out
Gene: mdlB
Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out

17. Dissimilatory copper-containing nitrite reductase

Pharmacological action: unknown
Organism class: bacterial
UniProt ID: O68601 Link_out
Gene: nir
Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out

18. 33 kDa chaperonin

Pharmacological action: unknown

Redox regulated molecular chaperone. Protects both thermally unfolding and oxidatively damaged proteins from irreversible aggregation. Plays an important role in the bacterial defense system toward oxidative stress

Organism class: bacterial
UniProt ID: P0A6Y5 Link_out
Gene: hslO
Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out

19. UPF0067 protein yebR

Pharmacological action: unknown
Organism class: bacterial
UniProt ID: P76270 Link_out
Gene: yebR
Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out

20. Ornithine cyclodeaminase

Pharmacological action: unknown
Organism class: bacterial
UniProt ID: Q88H32 Link_out
Gene: PP3533
Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out

21. Dihydropteridine reductase

Pharmacological action: unknown

The product of this enzyme, tetrahydrobiopterin (BH-4), is an essential cofactor for phenylalanine, tyrosine, and tryptophan hydroxylases

Organism class: human
UniProt ID: P09417 Link_out
Gene: QDPR 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

22. Argininosuccinate lyase

Pharmacological action: unknown
Organism class: human
UniProt ID: P04424 Link_out
Gene: ASL 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

23. UPF0189 protein ymdB

Pharmacological action: unknown
Organism class: bacterial
UniProt ID: P0A8D6 Link_out
Gene: ymdB
Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out

24. ADP-ribosylation factor-like protein 3

Pharmacological action: unknown
Organism class: human
UniProt ID: P36405 Link_out
Gene: ARL3
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

25. Beta-lactamase

Pharmacological action: unknown

Hydrolyzes broad-spectrum beta-lactam antibiotics. Active against cephalosporins such as cefuroxime and cefotaxime

Organism class: bacterial
UniProt ID: P52664 Link_out
Gene: blaB
Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out

26. 3-deoxy-D-manno-octulosonate 8-phosphate phosphatase

Pharmacological action: unknown

Catalyzes the hydrolysis of KDO 8-P to KDO and inorganic phosphate

Organism class: bacterial
UniProt ID: P45314 Link_out
Gene: HI_1679
Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out

27. Lethal(3)malignant brain tumor-like protein

Pharmacological action: unknown

Polycomb group (PcG) protein. PcG proteins maintain the transcriptionally repressive state of genes, probably via a modification of chromatin, rendering it heritably changed in its expressibility. Participates in the ETV6-mediated repression. Probably plays a role in cell proliferation. Overexpression induces multinucleated cells, suggesting that it is required to accomplish normal mitosis

Organism class: human
UniProt ID: Q9Y468 Link_out
Gene: L3MBTL1
Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out

28. Cholinesterase

Pharmacological action: unknown

An acylcholine + H(2)O = choline + a carboxylate

Organism class: human
UniProt ID: P06276 Link_out
Gene: BCHE Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out

29. Ribonuclease Z

Pharmacological action: unknown

Zinc phosphodiesterase, which displays some tRNA 3'- processing endonuclease activity. Probably involved in tRNA maturation, by removing a 3' trailer from precursor tRNA

Organism class: bacterial
UniProt ID: P54548 Link_out
Gene: rnz
Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out

30. Peroxiredoxin-6

Pharmacological action: unknown
Organism class: human
UniProt ID: P30041 Link_out
Gene: PRDX6
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

31. Hypothetical gliding protein

Pharmacological action: unknown
Organism class: bacterial
UniProt ID: Q9X9L0 Link_out
Gene: mglB
Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out

32. Prolyl endopeptidase Pep

Pharmacological action: unknown
Organism class: bacterial
UniProt ID: Q9X5N2 Link_out
Gene: pep
Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out

33. Pulmonary surfactant-associated protein A1

Pharmacological action: unknown
Organism class: human
UniProt ID: Q8IWL2 Link_out
Gene: SFTPA1
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

34. Manganese catalase

Pharmacological action: unknown

2 H(2)O(2) = O(2) + 2 H(2)O

Organism class: bacterial
UniProt ID: P60355 Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA

35. Chorismate mutase

Pharmacological action: unknown
Organism class: bacterial
UniProt ID: Q84FH6 Link_out
Gene: aroG
Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out

36. Putative cytochrome P450

Pharmacological action: unknown
Organism class: bacterial
UniProt ID: Q9FCA6 Link_out
Gene: SCO1207
Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out

37. Interferon-inducible GTPase 5

Pharmacological action: unknown
Organism class: human
UniProt ID: Q6NXR0 Link_out
Gene: IRGC
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

38. Internalin-A

Pharmacological action: unknown

Mediates the entry of Listeria monocytogenes into cells

Organism class: bacterial
UniProt ID: P25146 Link_out
Gene: inlA
Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out

39. Chymase

Pharmacological action: unknown

Major secreted protease of mast cells with suspected roles in vasoactive peptide generation, extracellular matrix degradation, and regulation of gland secretion

Organism class: human
UniProt ID: P23946 Link_out
Gene: CMA1 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

40. Glutathione S-transferase P

Pharmacological action: unknown

Conjugation of reduced glutathione to a wide number of exogenous and endogenous hydrophobic electrophiles

Organism class: human
UniProt ID: P09211 Link_out
Gene: GSTP1 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
Enzymes

1. Cholinesterase

An acylcholine + H(2)O = choline + a carboxylate

UniProt ID: P06276 Link_out
Gene: BCHE Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out
Comments
Drug created on June 13, 2005 07:24 / Updated on February 08, 2013 16:22