Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03981"
| Predicate | Value (sorted: none) |
|---|---|
| owl:sameAs | |
| rdf:type | |
| rdfs:label |
"1,4-Dideoxy-5-Dehydro-O2-Sulfo-Glucuronic Acid"
|
| ns1:description |
"
experimental
This compound belongs to the pyran carboxylic acids and derivatives. These are compounds containing a pyran ring which bears a carboxylic acid group (or a derivative thereof).
Pyran Carboxylic Acids and Derivatives
Organic Compounds
Heterocyclic Compounds
Pyrans
Pyran Carboxylic Acids and Derivatives
Sulfuric Acid Monoesters
Secondary Alcohols
Polyamines
Enolates
Carboxylic Acids
sulfuric acid monoester
sulfate-ester
sulfuric acid derivative
secondary alcohol
carboxylic acid derivative
polyamine
enolate
carboxylic acid
alcohol
logP
-1.8
ALOGPS
logS
-0.86
ALOGPS
Water Solubility
3.32e+01 g/l
ALOGPS
logP
-3.6
ChemAxon
IUPAC Name
(3R,4R)-4-hydroxy-3-(sulfooxy)-3,4-dihydro-2H-pyran-6-carboxylic acid
ChemAxon
Traditional IUPAC Name
(4R,5R)-4-hydroxy-5-(sulfooxy)-5,6-dihydro-4H-pyran-2-carboxylic acid
ChemAxon
Molecular Weight
240.188
ChemAxon
Monoisotopic Weight
239.993987922
ChemAxon
SMILES
O[C@@H]1C=C(OC[C@H]1OS(O)(=O)=O)C(O)=O
ChemAxon
Molecular Formula
C6H8O8S
ChemAxon
InChI
InChI=1S/C6H8O8S/c7-3-1-4(6(8)9)13-2-5(3)14-15(10,11)12/h1,3,5,7H,2H2,(H,8,9)(H,10,11,12)/t3-,5-/m1/s1
ChemAxon
InChIKey
InChIKey=SLBOXLMLDIGNGG-NQXXGFSBSA-N
ChemAxon
Polar Surface Area (PSA)
130.36
ChemAxon
Refractivity
45.11
ChemAxon
Polarizability
19.36
ChemAxon
Rotatable Bond Count
3
ChemAxon
H Bond Acceptor Count
7
ChemAxon
H Bond Donor Count
3
ChemAxon
pKa (strongest acidic)
-2.1
ChemAxon
pKa (strongest basic)
-3.4
ChemAxon
Physiological Charge
-2
ChemAxon
Number of Rings
1
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
PubChem Compound
46936854
PubChem Substance
46508196
ChemSpider
2632204
PDB
UAP
BE0004149
Annexin A5
Human
# 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
# 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":http://www.ncbi.nlm.nih.gov/pubmed/10592235
unknown
Annexin A5
ANXA5
Human
UniProtKB
P08758
UniProt Accession
ANXA5_HUMAN
BE0001015
Fibroblast growth factor 2
Human
# 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
Fibroblast growth factor 2
Involved in growth factor activity
The heparin-binding growth factors are angiogenic agents in vivo and are potent mitogens for a variety of cell types in vitro. There are differences in the tissue distribution and concentration of these 2 growth factors
FGF2
4q26-q27
None
10.01
17254.0
Human
HUGO Gene Nomenclature Committee (HGNC)
HGNC:3676
GenAtlas
FGF2
GeneCards
FGF2
GenBank Gene Database
X04431
GenBank Protein Database
31362
UniProtKB
P09038
UniProt Accession
FGF2_HUMAN
Basic fibroblast growth factor
BFGF
HBGF-2
Heparin-binding growth factor 2 precursor
Prostatropin
>Heparin-binding growth factor 2 precursor
MAAGSITTLPALPEDGGSGAFPPGHFKDPKRLYCKNGGFFLRIHPDGRVDGVREKSDPHI
KLQLQAEERGVVSIKGVCANRYLAMKEDGRLLASKCVTDECFFFERLESNNYNTYRSRKY
TSWYVALKRTGQYKLGSKTGPGQKAILFLPMSAKS
>468 bp
ATGGCAGCCGGGAGCATCACCACGCTGCCCGCCTTGCCCGAGGATGGCGGCAGCGGCGCC
TTCCCGCCCGGCCACTTCAAGGACCCCAAGCGGCTGTACTGCAAAAACGGGGGCTTCTTC
CTGCGCATCCACCCCGACGGCCGAGTTGACGGGGTCCGGGAGAAGAGCGACCCTCACATC
AAGCTACAACTTCAAGCAGAAGAGAGAGGAGTTGTGTCTATCAAAGGAGTGTGTGCTAAC
CGTTACCTGGCTATGAAGGAAGATGGAAGATTACTGGCTTCTAAATGTGTTACGGATGAG
TGTTTCTTTTTTGAACGATTGGAATCTAATAACTACAATACTTACCGGTCAAGGAAATAC
ACCAGTTGGTATGTGGCACTGAAACGAACTGGGCAGTATAAACTTGGATCCAAAACAGGA
CCTGGGCAGAAAGCTATACTTTTTCTTCCAATGTCTGCTAAGAGCTGA
PF00167
FGF
function
signal transducer activity
function
growth factor activity
function
receptor binding
BE0001541
Heparan sulfate glucosamine 3-O-sulfotransferase 3A1
Human
# 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
Heparan sulfate glucosamine 3-O-sulfotransferase 3A1
Involved in sulfotransferase activity
Transfers a sulfuryl group to an N-unsubstituted glucosamine linked to a 2-O-sulfo iduronic acid unit on heparan sulfate. Catalyzes the O-sulfation of glucosamine in IdoUA2S-GlcNS and also in IdoUA2S-GlcNH2. The substrate-specific O-sulfation generates an enzyme-modified heparan sulfate which acts as a binding receptor to Herpes simplex virus-1 (HSV-1) and permits its entry. Unlike 3-OST-1, does not convert non-anticoagulant heparan sulfate to anticoagulant heparan sulfate
HS3ST3A1
17p12-p11.2
Golgi apparatus; Golgi apparatus membrane; single-pass type II membrane protein (Probable)
25-43
9.98
44900.0
Human
HUGO Gene Nomenclature Committee (HGNC)
HGNC:5196
GenAtlas
HS3ST3A1
GeneCards
HS3ST3A1
GenBank Gene Database
AF105376
GenBank Protein Database
4835723
UniProtKB
Q9Y663
UniProt Accession
HS3SA_HUMAN
EC 2.8.2.30
h3-OST-3A
Heparan sulfate 3-O-sulfotransferase 3A1
Heparan sulfate D-glucosaminyl 3-O-sulfotransferase 3A1
>Heparan sulfate glucosamine 3-O-sulfotransferase 3A1
MAPPGPASALSTSAEPLSRSIFRKFLLMLCSLLTSLYVFYCLAERCQTLSGPVVGLSGGG
EEAGAPGGGVLAGGPRELAVWPAAAQRKRLLQLPQWRRRRPPAPRDDGEEAAWEEESPGL
SGGPGGSGAGSTVAEAPPGTLALLLDEGSKQLPQAIIIGVKKGGTRALLEFLRVHPDVRA
VGAEPHFFDRSYDKGLAWYRDLMPRTLDGQITMEKTPSYFVTREAPARISAMSKDTKLIV
VVRDPVTRAISDYTQTLSKRPDIPTFESLTFKNRTAGLIDTSWSAIQIGIYAKHLEHWLR
HFPIRQMLFVSGERLISDPAGELGRVQDFLGLKRIITDKHFYFNKTKGFPCLKKAEGSSR
PHCLGKTKGRTHPEIDREVVRRLREFYRPFNLKFYQMTGHDFGWDG
>1221 bp
ATGGCCCCTCCGGGCCCGGCCAGTGCCCTCTCCACCTCGGCCGAGCCGCTGTCCCGCAGC
ATCTTCCGGAAGTTCTTGCTGATGCTCTGCTCCCTGCTCACGTCCCTTTACGTCTTCTAC
TGCCTGGCCGAGCGCTGCCAGACCCTGTCCGGCCCCGTCGTGGGGCTGTCCGGCGGCGGC
GAGGAGGCGGGGGCCCCTGGTGGCGGCGTCCTGGCCGGAGGCCCGAGGGAGCTGGCGGTG
TGGCCGGCGGCGGCACAGAGAAAGCGCCTCCTGCAACTGCCGCAGTGGCGGAGGCGCCGG
CCGCCCGCGCCCCGCGACGACGGCGAGGAGGCGGCCTGGGAAGAAGAGTCCCCTGGCCTG
TCAGGGGGTCCGGGCGGCTCCGGGGCCGGAAGCACCGTGGCCGAGGCCCCGCCGGGGACC
CTGGCGCTGCTCCTGGACGAAGGCAGCAAGCAGCTGCCGCAGGCCATCATCATCGGAGTG
AAGAAGGGCGGCACGCGGGCGCTGCTGGAGTTCCTGCGCGTGCACCCCGACGTGCGCGCC
GTGGGCGCCGAGCCCCACTTCTTCGACCGCAGCTACGACAAGGGCCTCGCCTGGTACCGG
GACCTGATGCCCAGAACCCTGGACGGGCAGATCACCATGGAGAAGACGCCCAGTTACTTC
GTCACGCGGGAGGCCCCCGCGCGCATCTCGGCCATGTCCAAGGACACCAAGCTCATCGTG
GTGGTGCGGGACCCGGTGACCAGGGCCATCTCGGACTACACGCAGACGCTGTCCAAGCGG
CCCGACATCCCCACCTTCGAGAGCTTGACGTTCAAAAACAGGACAGCGGGCCTCATCGAC
ACGTCGTGGAGCGCCATCCAGATCGGCATCTACGCCAAGCACCTGGAGCACTGGCTGCGC
CACTTCCCCATCCGCCAGATGCTCTTCGTGAGCGGCGAGCGGCTCATCAGCGACCCGGCC
GGGGAGCTGGGCCGCGTGCAAGACTTCCTGGGCCTCAAGAGGATCATCACGGACAAGCAC
TTCTACTTCAACAAGACCAAGGGCTTCCCCTGCCTGAAGAAGGCGGAGGGCAGCAGCCGG
CCCCATTGCCTGGGCAAGACCAAGGGCAGGACCCATCCTGAGATCGACCGCGAGGTGGTG
CGCAGGCTGCGCGAGTTCTACCGGCCTTTCAACCTCAAGTTCTACCAGATGACCGGGCAC
GACTTTGGCTGGGATGGATAA
PF00685
Sulfotransfer_1
function
catalytic activity
function
transferase activity
function
transferase activity, transferring sulfur-containing groups
function
sulfotransferase activity
"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines/drugbank_small.nt
The resource does not appear as an object