Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB04508"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"Methyl(6s)-1-Thio-L-Manno-Hexodialdo-6,2-Pyranoside"
|
| rdf:type | |
| drugbank:description |
"
experimental
This compound belongs to the o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.
O-glycosyl Compounds
Organic Compounds
Organooxygen Compounds
Carbohydrates and Carbohydrate Conjugates
Glycosyl Compounds
Hexoses
Oxanes
1,2-Diols
Secondary Alcohols
Polyamines
Acetals
Thioaldehydes
monosaccharide
oxane
polyol
1,2-diol
secondary alcohol
thioaldehyde
acetal
polyamine
ether
alcohol
thiocarbonyl group
logP
-0.56
ALOGPS
logS
-0.98
ALOGPS
Water Solubility
2.16e+01 g/l
ALOGPS
logP
-0.8
ChemAxon
IUPAC Name
(2R,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methoxyoxane-2-carbothialdehyde
ChemAxon
Traditional IUPAC Name
(2R,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methoxyoxane-2-carbothialdehyde
ChemAxon
Molecular Weight
208.232
ChemAxon
Monoisotopic Weight
208.040544184
ChemAxon
SMILES
CO[C@H]1O[C@@H](C=S)[C@H](O)[C@@H](O)[C@@H]1O
ChemAxon
Molecular Formula
C7H12O5S
ChemAxon
InChI
InChI=1S/C7H12O5S/c1-11-7-6(10)5(9)4(8)3(2-13)12-7/h2-10H,1H3/t3-,4-,5+,6-,7-/m0/s1
ChemAxon
InChIKey
InChIKey=RAZJTJNGLFDKPL-ZYNSJIGGSA-N
ChemAxon
Polar Surface Area (PSA)
79.15
ChemAxon
Refractivity
47.67
ChemAxon
Polarizability
19.58
ChemAxon
Rotatable Bond Count
2
ChemAxon
H Bond Acceptor Count
5
ChemAxon
H Bond Donor Count
3
ChemAxon
pKa (strongest acidic)
11.65
ChemAxon
pKa (strongest basic)
-3.7
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
1
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
PubChem Compound
46936993
PubChem Substance
46509002
PDB
WIA
BE0001978
Hemagglutinin-neuraminidase
NDV
# 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
Hemagglutinin-neuraminidase
Neuraminidase activity ensures the efficient spread of the virus by dissociating the mature virions from the neuraminic acid containing glycoproteins
HN
Membrane; single-pass type II membrane protein
27-48
7.09
63143.0
NDV
GenBank Gene Database
X04355
GenBank Protein Database
60936
UniProtKB
P32884
UniProt Accession
HN_NDVB
EC 3.2.1.18
>Hemagglutinin-neuraminidase
MDRAVSQVALENDEREAKNTWRLIFRIAILLLTVVTLATSVASLVYSMGASTPSDLVGIP
TRISRAEEKITSALGSNQDVVDRIYKQVALESPLALLNTETTIMNAITSLSYQINGAANN
SGWGAPIHDPDFIGGIGKELIVDDASDVTSFYPSAFQEHLNFIPAPTTGSGCTRIPSFDM
SATHYCYTHNVILSGCRDHSHSHQYLALGVLRTTATGRIFFSTLRSISLDDTQNRKSCSV
SATPLGCDMLCSKVTETEEEDYNSAVPTLMAHGRLGFDGQYHEKDLDVTTLFEDWVANYP
GVGGGSFIDGRVWFSVYGGLKPNSPSDTVQEGKYVIYKRYNDTCPDEQDYQIRMAKSSYK
PGRFGGKRIQQAILSIKVSTSLGEDPVLTVPPNTVTLMGAEGRILTVGTSHFLYQRGSSY
FSPALLYPMTVSNKTATLHSPYTFNAFTRPGSIPCQASARCPNSCVTGVYTDPYPLIFYR
NHTLRGVFGTMLDSEQARLNPTSAVFDSTSRSRITRVSSSSTKAAYTTSTCFKVVKTNKT
YCLSIAEISNTLFGEFRIVPLLVEILKNDGVREARSG
>1734 bp
ATGGACCGCGCAGTTAGCCAAGTTGCGTTAGAGAATGATGAAAGAGAGGCAAAAAATACA
TGGCGCTTGATATTCCGGATTGCAATCTTACTCTTAACAGTAGTGACCTTAGCTACATCT
GTAGCCTCCCTTGTATATAGCATGGGGGCTAGCACACCTAGCGACCTTGTAGGCATACCG
ACCAGGATTTCTAGGGCAGAAGAAAAGATTACATCTGCACTTGGTTCCAATCAAGATGTA
GTAGATAGGATATATAAGCAAGTGGCCCTTGAGTCTCCGTTGGCATTGTTAAACACTGAG
ACCACAATTATGAACGCAATAACATCTCTCTCTTATCAGATTAATGGAGCTGCGAACAAC
AGCGGGTGGGGGGCACCTATCCATGACCCAGATTTTATCGGGGGGATAGGCAAAGAACTC
ATTGTAGATGATGCTAGTGATGTCACATCATTCTATCCCTCTGCATTTCAAGAACATCTG
AATTTTATCCCGGCGCCTACTACAGGATCAGGTTGCACTCGGATACCTTCATTTGACATG
AGTGCTACCCATTACTGCTACACTCATAATGTAATATTGTCTGGATGCAGAGATCACTCA
CACTCACATCAGTATTTAGCACTTGGTGTGCTCCGGACAACTGCAACAGGGAGGATATTC
TTTTCTACTCTGCGTTCCATCAGTCTGGATGACACCCAAAATCGGAAGTCTTGCAGTGTG
AGTGCAACTCCCTTAGGTTGTGATATGCTGTGCTCGAAAGTCACGGAGACAGAGGAAGAA
GATTATAACTCAGCTGTCCCTACGCTGATGGCACATGGGAGGTTAGGGTTCGACGGCCAA
TACCACGAAAAGGACCTAGACGTCACAACATTATTTGAGGACTGGGTGGCCAACTACCCA
GGAGTAGGGGGTGGATCTTTTATTGACGGCCGCGTATGGTTCTCAGTCTACGGAGGGCTG
AAACCCAATTCACCCAGTGACACTGTACAGGAAGGGAAATATGTAATATACAAGCGATAC
AATGACACATGCCCAGATGAGCAAGACTACCAGATCCGAATGGCCAAGTCTTCGTATAAG
CCCGGGCGGTTTGGTGGGAAACGCATACAGCAGGCTATCTTATCTATCAAGGTGTCAACA
TCTTTGGGCGAAGACCCAGTACTGACTGTACCGCCCAACACAGTCACACTCATGGGGGCC
GAAGGCAGAATTCTCACAGTAGGGACATCTCATTTCTTGTATCAGCGAGGGTCATCATAC
TTCTCTCCCGCGTTATTATATCCTATGACAGTCAGCAACAAAACAGCCACTCTTCATAGT
CCCTATACATTCAATGCCTTCACTCGGCCAGGTAGTATCCCTTGCCAGGCTTCAGCAAGA
TGCCCCAACTCGTGTGTTACTGGAGTCTATACAGATCCATATCCCCTAATCTTCTATAGG
AACCACACCTTGCGAGGGGTATTCGGGACAATGCTTGATAGTGAACAAGCAAGACTTAAT
CCTACGTCTGCAGTATTCGATAGCACATCCCGCAGTCGCATAACTCGAGTGAGTTCAAGC
AGCACCAAAGCAGCATACACAACATCAACTTGTTTTAAAGTTGTCAAGACCAATAAGACC
TATTGTCTCAGCATTGCTGAAATATCTAATACTCTCTTCGGAGAATTCAGAATCGTCCCG
TTACTAGTTGAGATCCTCAAAAATGATGGGGTTAGAGAAGCCAGGTCTGGTTAG
PF00423
HN
function
hydrolase activity, acting on glycosyl bonds
function
hydrolase activity, hydrolyzing O-glycosyl compounds
function
alpha-sialidase activity
function
exo-alpha-sialidase activity
function
catalytic activity
function
hydrolase activity
process
viral life cycle
process
viral infectious cycle
"
|
| owl:sameAs |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object