Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03859"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"1-Thio-Beta-D-Glucopyranose"
|
| rdf:type | |
| ns1:description |
"
experimental
This compound belongs to the hexoses. These are monosaccharides in which the sugar unit is a hexose.
Hexoses
Organic Compounds
Organooxygen Compounds
Carbohydrates and Carbohydrate Conjugates
Monosaccharides
Oxanes
Secondary Alcohols
1,2-Diols
Ethers
Primary Alcohols
Alkylthiols
Polyamines
oxane
1,2-diol
polyol
secondary alcohol
primary alcohol
polyamine
ether
alkylthiol
alcohol
logP
-1.4
ALOGPS
logS
-0.5
ALOGPS
Water Solubility
6.26e+01 g/l
ALOGPS
logP
-2
ChemAxon
IUPAC Name
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-sulfanyloxane-3,4,5-triol
ChemAxon
Traditional IUPAC Name
1-thio-β-D-glucopyranose
ChemAxon
Molecular Weight
196.221
ChemAxon
Monoisotopic Weight
196.040544184
ChemAxon
SMILES
OC[C@H]1O[C@@H](S)[C@H](O)[C@@H](O)[C@@H]1O
ChemAxon
Molecular Formula
C6H12O5S
ChemAxon
InChI
InChI=1S/C6H12O5S/c7-1-2-3(8)4(9)5(10)6(12)11-2/h2-10,12H,1H2/t2-,3-,4+,5-,6+/m1/s1
ChemAxon
InChIKey
InChIKey=JUSMHIGDXPKSID-DVKNGEFBSA-N
ChemAxon
Polar Surface Area (PSA)
90.15
ChemAxon
Refractivity
42.14
ChemAxon
Polarizability
18.29
ChemAxon
Rotatable Bond Count
1
ChemAxon
H Bond Acceptor Count
5
ChemAxon
H Bond Donor Count
5
ChemAxon
pKa (strongest acidic)
8.64
ChemAxon
pKa (strongest basic)
-3
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
1
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
PubChem Compound
444809
PubChem Substance
46508390
PDB
GS1
BE0001539
Endoglucanase G
Clostridium cellulolyticum (strain ATCC 35319 / DSM 5812 / JCM 6584 / H10)
# Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/17139284
# 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":http://www.ncbi.nlm.nih.gov/pubmed/17016423
unknown
Endoglucanase G
Involved in endoglucanase activity
The biological conversion of cellulose to glucose generally requires three types of hydrolytic enzymes:(1) Endoglucanases which cut internal beta-1,4-glucosidic bonds; (2) Exocellobiohydrolases that cut the dissaccharide cellobiose from the nonreducing end of the cellulose polymer chain; (3) Beta-1,4- glucosidases which hydrolyze the cellobiose and other short cello- oligosaccharides to glucose
celCCG
Cytoplasmic
None
5.2
79886.0
Clostridium cellulolyticum (strain ATCC 35319 / DSM 5812 / JCM 6584 / H10)
GenBank Gene Database
M87018
GenBank Protein Database
551774
UniProtKB
P37700
UniProt Accession
GUNG_CLOCE
Cellulase G
EC 3.2.1.4
EGCCG
Endo-1,4-beta-glucanase G
Endoglucanase G precursor
>Endoglucanase G precursor
MLKTKRKLTKAIGVALSISILSSLVSFIPQTNTYAAGTYNYGEALQKSIMFYEFQRSGDL
PADKRDNWRDDSGMKDGSDVGVDLTGGWYDAGDHVKFNLPMSYTSAMLAWSLYEDKDAYD
KSGQTKYIMDGIKWANDYFIKCNPTPGVYYYQVGDGGKDHSWWGPAEVMQMERPSFKVDA
SKPGSAVCASTAASLASAAVVFKSSDPTYAEKCISHAKNLFDMADKAKSDAGYTAASGYY
SSSSFYDDLSWAAVWLYLATNDSTYLDKAESYVPNWGKEQQTDIIAYKWGQCWDDVHYGA
ELLLAKLTNKQLYKDSIEMNLDFWTTGVNGTRVSYTPKGLAWLFQWGSLRHATTQAFLAG
VYAEWEGCTPSKVSVYKDFLKSQIDYALGSTGRSFVVGYGVNPPQHPHHRTAHGSWTDQM
TSPTYHRHTIYGALVGGPDNADGYTDEINNYVNNEIACDYNAGFTGALAKMYKHSGGDPI
PNFKAIEKITNDEVIIKAGLNSTGPNYTEIKAVVYNQTGWPARVTDKISFKYFMDLSEIV
AAGIDPLSLVTSSNYSEGKNTKVSGVLPWDVSNNVYYVNVDLTGENIYPGGQSACRREVQ
FRIAAPQGRRYWNPKNDFSYDGLPTTSTVNTVTNIPVYDNGVKVFGNEPAGGSENPDPEI
LYGDVNSDKNVDALDFAALKKYLLGGTSSIDVKAADTYKDGNIDAIDMATLKKYLLGTIT
QLPQG
>2178 bp
TTGCTTAAGACTAAAAGAAAATTGACAAAAGCAATCGGTGTTGCATTATCGATTTCAATA
TTATCTTCGCTAGTATCGTTTATACCTCAAACAAATACATATGCAGCAGGAACATATAAC
TATGGAGAAGCATTACAGAAATCAATAATGTTCTATGAATTCCAGCGTTCGGGAGATCTT
CCGGCTGATAAACGTGACAACTGGAGAGACGATTCCGGTATGAAAGACGGTTCTGATGTA
GGAGTTGATCTTACAGGAGGATGGTACGATGCAGGTGACCATGTGAAATTTAATCTACCT
ATGTCATATACATCTGCAATGCTTGCATGGTCCTTATATGAGGATAAGGATGCTTATGAT
AAGAGCGGTCAGACAAAATATATAATGGACGGTATAAAATGGGCTAATGATTATTTTATT
AAATGTAATCCGACACCCGGTGTATATTATTACCAAGTAGGAGACGGCGGAAAGGACCAC
TCTTGGTGGGGCCCTGCGGAAGTAATGCAGATGGAAAGACCGTCTTTTAAGGTTGACGCT
TCTAAGCCCGGTTCTGCAGTATGTGCTTCCACTGCAGCTTCTCTGGCATCTGCAGCAGTA
GTCTTTAAATCCAGTGATCCTACTTATGCAGAAAAGTGCATAAGCCATGCAAAGAACCTG
TTTGATATGGCTGACAAAGCAAAGAGTGATGCTGGTTATACTGCGGCTTCAGGCTACTAC
AGCTCAAGCTCATTTTACGATGATCTCTCATGGGCTGCAGTATGGTTATATCTTGCTACA
AATGACAGTACATATTTAGACAAAGCAGAATCCTATGTACCGAATTGGGGTAAAGAACAG
CAGACAGATATTATCGCCTACAAGTGGGGACAGTGCTGGGATGATGTTCATTATGGTGCT
GAGCTTCTTCTTGCAAAGCTTACAAACAAACAATTGTATAAGGATAGTATAGAAATGAAC
CTTGACTTCTGGACAACTGGTGTTAACGGAACACGTGTTTCTTACACGCCAAAGGGTTTG
GCGTGGCTATTCCAATGGGGTTCATTAAGACATGCTACAACTCAGGCTTTTTTAGCCGGT
GTTTATGCAGAGTGGGAAGGCTGTACGCCATCCAAAGTATCTGTATATAAGGATTTCCTC
AAGAGTCAAATTGATTATGCACTTGGCAGTACCGGAAGAAGTTTTGTTGTCGGATATGGA
GTAAATCCTCCTCAACATCCTCATCACAGAACTGCTCACGGTTCATGGACAGATCAAATG
ACTTCACCAACATACCACAGGCATACTATTTATGGTGCGTTGGTAGGAGGACCGGATAAT
GCAGATGGCTATACTGATGAAATAAACAATTATGTCAATAATGAAATAGCCTGCGATTAT
AATGCCGGATTTACAGGTGCACTTGCAAAAATGTACAAGCATTCTGGCGGAGATCCGATT
CCAAACTTCAAGGCTATCGAAAAAATAACCAACGATGAAGTTATTATAAAGGCAGGTTTG
AATTCAACTGGCCCTAACTACACTGAAATCAAGGCTGTTGTTTATAACCAGACAGGATGG
CCTGCAAGAGTTACGGACAAGATATCATTTAAATATTTTATGGACTTGTCTGAAATTGTA
GCAGCAGGAATTGATCCTTTAAGCCTTGTAACAAGTTCAAATTATTCTGAAGGTAAGAAT
ACTAAGGTTTCCGGTGTGTTGCCATGGGATGTTTCAAATAATGTTTACTATGTAAATGTT
GATTTGACAGGAGAAAATATCTACCCAGGCGGTCAGTCTGCGTGCAGACGAGAAGTTCAG
TTCAGAATTGCCGCACCACAGGGAAGAAGATATTGGAATCCGAAAAATGATTTCTCATAT
GATGGATTACCAACCACCAGTACTGTAAATACGGTTACCAACATACCTGTTTATGATAAC
GGCGTAAAAGTATTTGGTAACGAACCCGCAGGTGGATCGGAAAACCCTGATCCTGAAATC
TTGTATGGAGACGTAAACAGCGACAAAAATGTAGATGCATTGGACTTTGCTGCATTGAAG
AAATATTTACTTGGAGGCACTTCCAGCATAGATGTTAAGGCTGCAGATACATACAAGGAT
GGGAATATTGACGCTATAGATATGGCTACCTTGAAGAAGTATTTATTGGGAACAATCACC
CAATTACCTCAAGGCTAA
PF00404
Dockerin_1
PF00942
CBM_3
PF00759
Glyco_hydro_9
function
catalytic activity
function
hydrolase activity
function
ion binding
function
cation binding
function
calcium ion binding
function
hydrolase activity, acting on glycosyl bonds
function
binding
function
hydrolase activity, hydrolyzing O-glycosyl compounds
process
polysaccharide metabolism
process
polysaccharide catabolism
process
metabolism
process
macromolecule metabolism
process
carbohydrate metabolism
process
physiological process
"
|
| owl:sameAs |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines/drugbank_small.nt
The resource does not appear as an object