Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02374"
| Predicate | Value (sorted: none) |
|---|---|
| rdfs:label |
"Xylose-Derived Imidazole"
|
| owl:sameAs | |
| drugbank:description |
"
experimental
This compound belongs to the imidazopyridines. These are organic polycyclic compounds containing an imidazole ring fused to a pyridine ring.
Imidazopyridines
Organic Compounds
Heterocyclic Compounds
Imidazopyridines
N-substituted Imidazoles
Secondary Alcohols
1,2-Diols
Polyamines
n-substituted imidazole
imidazole
azole
polyol
secondary alcohol
1,2-diol
polyamine
alcohol
organonitrogen compound
logP
-1.4
ALOGPS
logS
-0.83
ALOGPS
Water Solubility
2.51e+01 g/l
ALOGPS
logP
-1.8
ChemAxon
IUPAC Name
(6S,7R,8R)-5H,6H,7H,8H-imidazo[1,2-a]pyridine-6,7,8-triol
ChemAxon
Traditional IUPAC Name
xylose-derived imidazole
ChemAxon
Molecular Weight
170.1659
ChemAxon
Monoisotopic Weight
170.069142196
ChemAxon
SMILES
O[C@H]1CN2C=CN=C2[C@@H](O)[C@@H]1O
ChemAxon
Molecular Formula
C7H10N2O3
ChemAxon
InChI
InChI=1S/C7H10N2O3/c10-4-3-9-2-1-8-7(9)6(12)5(4)11/h1-2,4-6,10-12H,3H2/t4-,5+,6-/m0/s1
ChemAxon
InChIKey
InChIKey=QMHSBFMMOLGPGR-JKUQZMGJSA-N
ChemAxon
Polar Surface Area (PSA)
78.51
ChemAxon
Refractivity
39.75
ChemAxon
Polarizability
16.28
ChemAxon
Rotatable Bond Count
0
ChemAxon
H Bond Acceptor Count
4
ChemAxon
H Bond Donor Count
3
ChemAxon
pKa (strongest acidic)
12.36
ChemAxon
pKa (strongest basic)
5.61
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
2
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
PubChem Compound
11041133
PubChem Substance
46506871
ChemSpider
2645220
PDB
XIM
BE0001339
Exoglucanase/xylanase
Cellulomonas fimi
# 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
Exoglucanase/xylanase
Carbohydrate transport and metabolism
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
cex
Cytoplasmic
None
6.62
51291.0
Cellulomonas fimi
GenBank Gene Database
M15824
GenBank Protein Database
144425
UniProtKB
P07986
UniProt Accession
GUX_CELFI
1,4-beta-cellobiohydrolase
Beta-1,4- glycanase CEX
EC 3.2.1.8
EC 3.2.1.91
Endo-1,4-beta-xylanase B
Exocellobiohydrolase
Exoglucanase/xylanase
>Exoglucanase/xylanase precursor [Includes: Exoglucanase
MPRTTPAPGHPARGARTALRTTRRRAATLVVGATVVLPAQAATTLKEAADGAGRDFGFAL
DPNRLSEAQYKAIADSEFNLVVAENAMKWDATEPSQNSFSFGAGDRVASYAADTGKELYG
HTLVWHSQLPDWAKNLNGSAFESAMVNHVTKVADHFEGKVASWDVVNEAFADGDGPPQDS
AFQQKLGNGYIETAFRAARAADPTAKLCINDYNVEGINAKSNSLYDLVKDFKARGVPLDC
VGFQSHLIVGQVPGDFRQNLQRFADLGVDVRITELDIRMRTPSDATKLATQAADYKKVVQ
ACMQVTRCQGVTVWGITDKYSWVPDVFPGEGAALVWDASYAKKPAYAAVMEAFGASPTPT
PTTPTPTPTTPTPTPTSGPAGCQVLWGVNQWNTGFTANVTVKNTSSAPVDGWTLTFSFPS
GQQVTQAWSSTVTQSGSAVTVRNAPWNGSIPAGGTAQFGFNGSHTGTNAAPTAFSLNGTP
CTVG
>1455 bp
ATGCCTAGGACCACGCCCGCACCCGGCCACCCGGCCCGCGGCGCCCGCACCGCTCTGCGC
ACGACGCGCCGCCGCGCGGCGACGCTCGTCGTCGGCGCCACGGTCGTGCTGCCCGCCCAG
GCCGCGACCACGCTCAAGGAGGCCGCCGACGGCGCCGGCCGGGACTTCGGCTTCGCGCTC
GACCCCAACCGGCTCTCGGAGGCGCAGTACAAGGCGATCGCCGACAGCGAGTTCAACCTC
GTCGTCGCCGAGAACGCGATGAAGTGGGACGCCACCGAGCCCTCGCAGAACAGCTTCTCC
TTCGGCGCGGGCGACCGCGTCGCGAGCTACGCCGCCGACACCGGCAAGGAGCTGTACGGC
CACACGCTCGTCTGGCACTCGCAGCTGCCCGACTGGGCGAAGAACCTCAACGGCTCCGCG
TTCGAGAGCGCGATGGTCAACCACGTGACGAAGGTCGCCGACCACTTCGAGGGCAAGGTC
GCGTCGTGGGACGTCGTCAACGAGGCGTTCGCCGACGGCGACGGCCCGCCGCAGGACTCG
GCGTTCCAGCAGAAGCTCGGCAACGGCTACATCGAGACCGCGTTCCGGGCGGCACGTGCG
GCGGACCCGACCGCCAAGCTGTGCATCAACGACTACAACGTCGAGGGCATCAACGCGAAG
AGCAACTCGCTCTACGACCTCGTCAAGGACTTCAAGGCGCGCGGCGTCCCGCTCGACTGC
GTCGGGTTCCAGTCGCACCTCATCGTCGGCCAGGTGCCGGGCGACTTCCGGCAGAACCTG
CAGCGGTTCGCGGACCTGGGCGTGGACGTGCGCATCACCGAGCTCGACATCCGCATGCGG
ACGCCCTCCGACGCGACCAAGCTCGCGACCCAGGCGGCCGACTACAAGAAGGTCGTGCAG
GCCTGCATGCAGGTGACCCGCTGCCAGGGCGTGACCGTCTGGGGCATCACCGACAAGTAC
TCGTGGGTGCCGGACGTCTTCCCGGGCGAGGGGGCCGCGCTGGTGTGGGACGCGAGCTAC
GCCAAGAAGCCGGCCTACGCCGCCGTGATGGAGGCCTTCGGCGCGAGCCCGACGCCGACG
CCCACCACGCCGACCCCGACGCCCACGACGCCGACGCCGACCCCGACGTCCGGTCCGGCC
GGGTGCCAGGTGCTGTGGGGCGTCAACCAGTGGAACACCGGCTTCACCGCGAACGTCACC
GTGAAGAACACGTCCTCCGCTCCGGTCGACGGCTGGACGCTCACGTTCAGCTTCCCGTCC
GGCCAGCAGGTCACCCAGGCGTGGAGCTCGACGGTCACGCAGTCCGGCTCGGCCGTGACG
GTCCGCAACGCCCCGTGGAACGGCTCGATCCCGGCGGGCGGCACCGCGCAGTTCGGCTTC
AACGGCTCGCACACGGGCACCAACGCCGCGCCGACGGCGTTCTCGCTCAACGGCACGCCC
TGCACGGTCGGCTGA
PF00553
CBM_2
PF00331
Glyco_hydro_10
function
hydrolase activity, acting on glycosyl bonds
function
hydrolase activity, hydrolyzing O-glycosyl compounds
function
pattern binding
function
polysaccharide binding
function
binding
function
catalytic activity
function
hydrolase activity
process
carbohydrate metabolism
process
physiological process
process
metabolism
process
macromolecule metabolism
"
|
| rdf:type |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object