Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03325"
| Predicate | Value (sorted: none) |
|---|---|
| owl:sameAs | |
| rdf:type | |
| rdfs:label |
"Tyrosyladenylate"
|
| 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
Amphetamines and Derivatives
Pentoses
Phenylpropylamines
Purines and Purine Derivatives
Aminopyrimidines and Derivatives
Phenols and Derivatives
Primary Aromatic Amines
N-substituted Imidazoles
Oxolanes
Sulfuric Acid Amide Esters
Tetrahydrofurans
Organic Sulfites
1,2-Diols
Secondary Alcohols
Carboxylic Acid Amides
Enolates
Ethers
Enols
Polyamines
Monoalkylamines
alpha-amino acid amide
alpha-amino acid or derivative
amphetamine or derivative
pentose monosaccharide
phenylpropylamine
purine
imidazopyrimidine
phenol derivative
aminopyrimidine
primary aromatic amine
n-substituted imidazole
sulfuric acid amide ester
benzene
pyrimidine
monosaccharide
tetrahydrofuran
sulfuric acid derivative
organic sulfite
azole
imidazole
oxolane
carboxamide group
1,2-diol
secondary alcohol
enolate
polyamine
carboxylic acid derivative
enol
ether
amine
alcohol
primary amine
organonitrogen compound
primary aliphatic amine
logP
-0.71
ALOGPS
logS
-2.4
ALOGPS
Water Solubility
2.15e+00 g/l
ALOGPS
logP
-2.6
ChemAxon
IUPAC Name
(2S)-2-amino-1-[({[(2S,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}sulfonyl)amino]-3-(4-hydroxyphenyl)propan-1-one
ChemAxon
Traditional IUPAC Name
(2S)-2-amino-1-({[(2S,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxysulfonyl}amino)-3-(4-hydroxyphenyl)propan-1-one
ChemAxon
Molecular Weight
509.493
ChemAxon
Monoisotopic Weight
509.132881437
ChemAxon
SMILES
N[C@@H](CC1=CC=C(O)C=C1)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
C19H23N7O8S
ChemAxon
InChI
InChI=1S/C19H23N7O8S/c20-11(5-9-1-3-10(27)4-2-9)18(30)25-35(31,32)33-6-12-14(28)15(29)19(34-12)26-8-24-13-16(21)22-7-23-17(13)26/h1-4,7-8,11-12,14-15,19,27-29H,5-6,20H2,(H,25,30)(H2,21,22,23)/t11-,12-,14-,15+,19+/m0/s1
ChemAxon
InChIKey
InChIKey=MJZAZMKENKZBAJ-NEYKFGMSSA-N
ChemAxon
Polar Surface Area (PSA)
238.03
ChemAxon
Refractivity
118.74
ChemAxon
Polarizability
48.24
ChemAxon
Rotatable Bond Count
7
ChemAxon
H Bond Acceptor Count
13
ChemAxon
H Bond Donor Count
6
ChemAxon
pKa (strongest acidic)
2.74
ChemAxon
pKa (strongest basic)
6.42
ChemAxon
Physiological Charge
-1
ChemAxon
Number of Rings
4
ChemAxon
Bioavailability
0
ChemAxon
MDDR-Like Rule
true
ChemAxon
PubChem Compound
46936642
PubChem Substance
46507246
PDB
YSA
BE0002031
Tyrosine--tRNA ligase
Escherichia coli (strain K12)
# 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
Tyrosine--tRNA ligase
Translation, ribosomal structure and biogenesis
Catalyzes the attachment of tyrosine to tRNA(Tyr) in a two-step reaction:tyrosine is first activated by ATP to form Tyr- AMP and then transferred to the acceptor end of tRNA(Tyr)
tyrS
Cytoplasm
None
5.55
47527.0
Escherichia coli (strain K12)
GenBank Gene Database
J01719
GenBank Protein Database
148094
UniProtKB
P0AGJ9
UniProt Accession
SYY_ECOLI
EC 6.1.1.1
Tyrosine--tRNA ligase
TyrRS
>Tyrosyl-tRNA synthetase
MASSNLIKQLQERGLVAQVTDEEALAERLAQGPIALYCGFDPTADSLHLGHLVPLLCLKR
FQQAGHKPVALVGGATGLIGDPSFKAAERKLNTEETVQEWVDKIRKQVAPFLDFDCGENS
AIAANNYDWFGNMNVLTFLRDIGKHFSVNQMINKEAVKQRLNREDQGISFTEFSYNLLQG
YDFACLNKQYGVVLQIGGSDQWGNITSGIDLTRRLHQNQVFGLTVPLITKADGTKFGKTE
GGAVWLDPKKTSPYKFYQFWINTADADVYRFLKFFTFMSIEEINALEEEDKNSGKAPRAQ
YVLAEQVTRLVHGEEGLQAAKRITECLFSGSLSALSEADFEQLAQDGVPMVEMEKGADLM
QALVDSELQPSRGQARKTIASNAITINGEKQSDPEYFFKEEDRLFGRFTLLRRGKKNYCL
ICWK
>1275 bp
ATGGCAAGCAGTAACTTGATTAAACAATTGCAAGAGCGGGGGCTGGTAGCCCAGGTGACG
GACGAGGAAGCGTTAGCAGAGCGACTGGCGCAAGGCCCGATCGCGCTCTATTGCGGCTTC
GATCCTACCGCTGACAGCTTGCATTTGGGGCATCTTGTTCCATTGTTATGCCTGAAACGC
TTCCAGCAGGCGGGCCACAAGCCGGTTGCGCTGGTAGGCGGCGCGACGGGTCTGATTGGC
GACCCGAGCTTCAAAGCTGCCGAGCGTAAGCTGAACACCGAAGAAACTGTTCAGGAGTGG
GTGGACAAAATCCGTAAGCAGGTTGCCCCGTTCCTCGATTTCGACTGTGGAGAAAACTCT
GCTATCGCGGCGAACAACTATGACTGGTTCGGCAATATGAATGTGCTGACCTTCCTGCGC
GATATTGGCAAACACTTCTCCGTTAACCAGATGATCAACAAAGAAGCGGTTAAGCAGCGT
CTCAACCGTGAAGATCAGGGGATTTCGTTCACTGAGTTTTCCTACAACCTGTTGCAGGGT
TATGACTTCGCCTGTCTGAACAAACAGTACGGTGTGGTGCTGCAAATTGGTGGTTCTGAC
CAGTGGGGTAACATCACTTCTGGTATCGACCTGACCCGTCGTCTGCATCAGAATCAGGTG
TTTGGCCTGACCGTTCCGCTGATCACTAAAGCAGATGGCACCAAATTTGGTAAAACTGAA
GGCGGCGCAGTCTGGTTGGATCCGAAGAAAACCAGCCCGTACAAATTCTACCAGTTCTGG
ATCAACACTGCGGATGCCGACGTTTACCGCTTCCTGAAGTTCTTCACCTTTATGAGCATT
GAAGAGATCAACGCCCTGGAAGAAGAAGATAAAAACAGCGGTAAAGCACCGCGCGCCCAG
TATGTACTGGCGGAGCAGGTGACTCGTCTGGTTCACGGTGAAGAAGGTTTACAGGCGGCA
AAACGTATTACCGAATGCCTGTTCAGCGGTTCTTTGAGTGCGCTGAGTGAAGCGGACTTC
GAACAGCTGGCGCAGGACGGCGTACCGATGGTTGAGATGGAAAAGGGCGCAGACCTGATG
CAGGCACTGGTCGATTCTGAACTGCAACCTTCCCGTGGTCAGGCACGTAAAACTATCGCC
TCCAATGCCATCACCATTAACGGTGAAAAACAGTCCGATCCTGAATACTTCTTTAAAGAA
GAAGATCGTCTGTTTGGTCGTTTTACCTTACTGCGTCGCGGTAAAAAGAATTACTGTCTG
ATTTGCTGGAAATAA
PF01479
S4
PF00579
tRNA-synt_1b
function
ligase activity
function
catalytic activity
function
ligase activity, forming phosphoric ester bonds
function
RNA ligase activity
function
tRNA ligase activity
function
nucleotide binding
function
purine nucleotide binding
function
adenyl nucleotide binding
function
ATP binding
function
nucleic acid binding
function
tyrosine-tRNA ligase activity
function
RNA binding
function
binding
process
metabolism
process
cellular metabolism
process
RNA metabolism
process
tRNA metabolism
process
tRNA aminoacylation
process
tRNA aminoacylation for protein translation
process
tyrosyl-tRNA aminoacylation
process
nucleobase, nucleoside, nucleotide and nucleic acid metabolism
process
physiological process
"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object