Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03869"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"5'-O-(N-(L-Seryl)-Sulfamoyl)Adenosine"
|
| rdf:type | |
| drugbank:description |
"
experimental
This compound belongs to the purine nucleosides and analogues. These are compounds comprising a purine base attached to a sugar.
Purine Nucleosides and Analogues
Organic Compounds
Organooxygen Compounds
Carbohydrates and Carbohydrate Conjugates
Glycosyl Compounds
Glycoamino Acids and Derivatives
Alpha Amino Acid Amides
Pentoses
Purines and Purine Derivatives
Aminopyrimidines and Derivatives
N-substituted Imidazoles
Primary Aromatic Amines
Sulfuric Acid Amide Esters
Oxolanes
Tetrahydrofurans
Organic Sulfites
1,2-Diols
Secondary Alcohols
Enolates
Ethers
Carboxylic Acid Amides
Primary Alcohols
Polyamines
Monoalkylamines
alpha-amino acid amide
alpha-amino acid or derivative
pentose monosaccharide
purine
imidazopyrimidine
aminopyrimidine
pyrimidine
primary aromatic amine
monosaccharide
sulfuric acid amide ester
n-substituted imidazole
sulfuric acid derivative
tetrahydrofuran
imidazole
azole
organic sulfite
oxolane
carboxamide group
secondary alcohol
1,2-diol
primary alcohol
enolate
carboxylic acid derivative
ether
polyamine
amine
primary aliphatic amine
alcohol
organonitrogen compound
primary amine
logP
-1.6
ALOGPS
logS
-1.8
ALOGPS
Water Solubility
6.31e+00 g/l
ALOGPS
logP
-5
ChemAxon
IUPAC Name
(2R)-2-amino-1-[({[(2S,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}sulfonyl)amino]-3-hydroxypropan-1-one
ChemAxon
Traditional IUPAC Name
(2R)-2-amino-1-({[(2S,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxysulfonyl}amino)-3-hydroxypropan-1-one
ChemAxon
Molecular Weight
433.397
ChemAxon
Monoisotopic Weight
433.101581309
ChemAxon
SMILES
N[C@H](CO)C(=O)NS(=O)(=O)OC[C@@H]1O[C@H]([C@H](O)[C@H]1O)N1C=NC2=C1N=CN=C2N
ChemAxon
Molecular Formula
C13H19N7O8S
ChemAxon
InChI
InChI=1S/C13H19N7O8S/c14-5(1-21)12(24)19-29(25,26)27-2-6-8(22)9(23)13(28-6)20-4-18-7-10(15)16-3-17-11(7)20/h3-6,8-9,13,21-23H,1-2,14H2,(H,19,24)(H2,15,16,17)/t5-,6+,8+,9-,13-/m1/s1
ChemAxon
InChIKey
InChIKey=HQXFJGONGJPTLZ-FLNYCXGNSA-N
ChemAxon
Polar Surface Area (PSA)
238.03
ChemAxon
Refractivity
93.69
ChemAxon
Polarizability
38.79
ChemAxon
Rotatable Bond Count
6
ChemAxon
H Bond Acceptor Count
13
ChemAxon
H Bond Donor Count
6
ChemAxon
pKa (strongest acidic)
2.71
ChemAxon
pKa (strongest basic)
6.25
ChemAxon
Physiological Charge
-1
ChemAxon
Number of Rings
3
ChemAxon
Bioavailability
0
ChemAxon
MDDR-Like Rule
true
ChemAxon
PubChem Compound
46936812
PubChem Substance
46508279
PDB
SSA
BE0001579
Threonine--tRNA ligase
Shigella flexneri
# 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
Threonine--tRNA ligase
Translation, ribosomal structure and biogenesis
ThrS is also a translational repressor protein, it controls the translation of its own gene by binding to its mRNA
thrS
Cytoplasm
None
6.12
74015.0
Shigella flexneri
GenBank Gene Database
AE005674
GenBank Protein Database
24051829
UniProtKB
P0A8M5
UniProt Accession
SYT_SHIFL
EC 6.1.1.3
Threonine--tRNA ligase
ThrRS
>Threonyl-tRNA synthetase
MPVITLPDGSQRHYDHAVSPMDVALDIGPGLAKACIAGRVNGELVDACDLIENDAQLSII
TAKDEEGLEIIRHSCAHLLGHAIKQLWPHTKMAIGPVIDNGFYYDVDLDRTLTQEDVEAL
EKRMHELAEKNYDVIKKKVSWHEARETFANRGESYKVSILDENIAHDDKPGLYFHEEYVD
MCRGPHVPNMRFCHHFKLMKTAGAYWRGDSNNKMLQRIYGTAWADKKALNAYLQRLEEAA
KRDHRKIGKQLDLYHMQEEAPGMVFWHNDGWTIFRELEVFVRSKLKEYQYQEVKGPFMMD
RVLWEKTGHWDNYKDAMFTTSSENREYCIKPMNCPGHVQIFNQGLKSYRDLPLRMAEFGS
CHRNEPSGSLHGLMRVRGFTQDDAHIFCTEEQIRDEVNGCIRLVYDMYSTFGFEKIVVKL
STRPEKRIGSDEMWDRAEADLAVALEENNIPFEYQLGEGAFYGPKIEFTLYDCLDRAWQC
GTVQLDFSLPSRLSASYVGEDNERKVPVMIHRAILGSMERFIGILTEEFAGFFPTWLAPV
QVVIMNITDSQSEYVNELTQKLSNAGIRVKADLRNEKIGFKIREHTLRRVPYMLVCGDKE
VESGKVAVRTRRGKDLGSMDVNEVIEKLQQEIRSRSLKQLEE
>1929 bp
ATGCCTGTTATAACTCTTCCTGATGGCAGCCAACGCCATTACGACCACGCTGTAAGCCCC
ATGGATGTTGCGCTGGACATTGGTCCAGGTCTGGCGAAAGCCTGTATCGCAGGGCGCGTT
AATGGCGAACTGGTTGATGCTTGCGATCTGATTGAAAACGACGCACAACTGTCGATCATT
ACCGCCAAAGACGAAGAAGGTCTGGAGATCATTCGTCACTCCTGTGCGCACCTGTTAGGG
CATGCGATTAAACAACTTTGGCCGCATACCAAAATGGCAATCGGCCCGGTTATTGACAAC
GGTTTTTATTACGACGTTGATCTTGACCGCACGTTAACCCAGGAAGATGTCGAAGCACTC
GAGAAGCGGATGCATGAGCTTGCTGAGAAAAACTACGACGTCATTAAGAAGAAAGTCAGC
TGGCACGAAGCGCGTGAAACTTTCGCCAACCGTGGGGAGAGCTACAAAGTTTCCATTCTT
GACGAAAACATCGCCCATGATGACAAGCCAGGTCTGTACTTCCATGAAGAATATGTCGAT
ATGTGCCGCGGTCCGCACGTACCGAACATGCGTTTCTGCCATCATTTCAAACTAATGAAA
ACGGCAGGGGCTTACTGGCGTGGCGACAGCAACAACAAAATGTTGCAACGTATTTACGGT
ACGGCGTGGGCAGACAAAAAAGCACTTAACGCTTACCTGCAGCGCCTGGAAGAAGCCGCG
AAACGCGACCACCGTAAAATCGGTAAACAGCTCGACCTGTACCATATGCAGGAAGAAGCG
CCGGGTATGGTATTCTGGCACAACGACGGCTGGACCATCTTCCGTGAACTGGAAGTGTTT
GTTCGTTCTAAACTGAAAGAGTACCAGTATCAGGAAGTTAAAGGTCCGTTCATGATGGAC
CGTGTCCTGTGGGAAAAAACCGGTCACTGGGACAACTACAAAGATGCAATGTTCACCACA
TCTTCTGAGAACCGTGAATACTGCATTAAGCCGATGAACTGCCCGGGTCACGTACAAATT
TTCAACCAGGGGCTGAAGTCTTATCGCGATCTGCCGCTGCGTATGGCCGAGTTTGGTAGC
TGCCACCGTAACGAGCCGTCAGGTTCGCTGCATGGCCTGATGCGCGTGCGTGGATTTACC
CAGGATGACGCGCATATCTTCTGTACTGAAGAACAAATTCGCGATGAAGTTAACGGATGT
ATCCGTTTAGTCTATGATATGTACAGCACTTTTGGCTTCGAGAAGATCGTCGTCAAACTC
TCCACTCGTCCTGAAAAACGTATTGGCAGCGACGAAATGTGGGATCGTGCTGAGGCGGAC
CTGGCGGTTGCGCTGGAAGAAAACAACATCCCGTTTGAATATCAACTGGGTGAAGGCGCT
TTCTACGGTCCGAAAATTGAATTTACCCTGTATGACTGCCTCGATCGTGCATGGCAGTGC
GGTACAGTACAGCTGGACTTCTCCTTGCCGTCTCGTCTGAGCGCCTCCTATGTGGGCGAA
GACAACGAGCGTAAGGTACCGGTAATGATTCACCGCGCAATTCTGGGGTCGATGGAGCGT
TTCATCGGTATCCTGACCGAAGAATTCGCTGGTTTCTTCCCGACCTGGCTTGCGCCAGTT
CAGGTTGTTATCATGAATATTACCGATTCACAGTCTGAATACGTTAACGAATTGACGCAA
AAACTATCAAATGCGGGCATTCGTGTTAAAGCAGACTTGAGAAATGAGAAGATTGGCTTT
AAAATCCGCGAGCACACTTTGCGTCGCGTCCCATATATGCTGGTCTGTGGTGATAAAGAG
GTGGAATCAGGCAAAGTTGCCGTTCGCACCCGCCGTGGTAAAGACCTGGGAAGCATGGAC
GTAAATGAAGTGATCGAGAAGCTGCAACAAGAGATTCGCAGCCGCAGTCTTAAACAATTG
GAGGAATAA
PF00587
tRNA-synt_2b
PF03129
HGTP_anticodon
PF02824
TGS
PF07973
tRNA_SAD
function
nucleotide binding
function
ATP binding
function
ion binding
function
threonine-tRNA ligase activity
function
cation binding
function
transition metal ion binding
function
iron ion binding
function
ligase activity
function
binding
function
transporter activity
function
ligase activity, forming phosphoric ester bonds
function
electron transporter activity
function
RNA ligase activity
function
catalytic activity
function
tRNA ligase activity
function
purine nucleotide binding
function
adenyl nucleotide binding
process
tRNA aminoacylation for protein translation
process
macromolecule biosynthesis
process
protein biosynthesis
process
threonyl-tRNA aminoacylation
process
nucleobase, nucleoside, nucleotide and nucleic acid metabolism
process
physiological process
process
generation of precursor metabolites and energy
process
metabolism
process
electron transport
process
RNA metabolism
process
cellular metabolism
process
tRNA metabolism
process
macromolecule metabolism
process
tRNA aminoacylation
"
|
| 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