Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB01831"
Predicate | Value (sorted: default) |
---|---|
rdfs:label |
"Tryptophanyl-5'amp"
|
rdf:type | |
drugbank:description |
"
experimental
This compound belongs to the purine ribonucleoside monophosphates. These are nucleotides consisting of a purine base linked to a ribose to which one monophosphate group is attached.
Purine Ribonucleoside Monophosphates
Organic Compounds
Organooxygen Compounds
Carbohydrates and Carbohydrate Conjugates
Glycosyl Compounds
Glycoamino Acids and Derivatives
Pentose Phosphates
Tryptamines and Derivatives
Alpha Amino Acids and Derivatives
Monosaccharide Phosphates
Purines and Purine Derivatives
Indoles
Phosphoethanolamines
Acyl Phosphates
Aminopyrimidines and Derivatives
N-substituted Imidazoles
Organic Phosphoric Acids
Benzene and Substituted Derivatives
Primary Aromatic Amines
Substituted Pyrroles
Tetrahydrofurans
Oxolanes
Secondary Alcohols
1,2-Diols
Enolates
Ethers
Polyamines
Monoalkylamines
pentose phosphate
glyco amino acid
pentose-5-phosphate
tryptamine
alpha-amino acid or derivative
monosaccharide phosphate
pentose monosaccharide
imidazopyrimidine
indole
indole or derivative
purine
acetyl-phosphate
phosphoethanolamine
aminopyrimidine
primary aromatic amine
substituted pyrrole
organic phosphate
monosaccharide
n-substituted imidazole
benzene
pyrimidine
phosphoric acid ester
tetrahydrofuran
pyrrole
imidazole
azole
oxolane
1,2-diol
secondary alcohol
enolate
polyamine
carboxylic acid derivative
ether
alcohol
amine
primary amine
organonitrogen compound
primary aliphatic amine
DB01171
Moclobemide
Possible severe adverse reaction with this combination
DB00780
Phenelzine
Possible severe adverse reaction with this combination
logP
-0.62
ALOGPS
logS
-2.7
ALOGPS
Water Solubility
1.11e+00 g/l
ALOGPS
logP
-1.8
ChemAxon
IUPAC Name
{[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]oxy}({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy})phosphinic acid
ChemAxon
Traditional IUPAC Name
[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]oxy[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxyphosphinic acid
ChemAxon
Molecular Weight
533.4311
ChemAxon
Monoisotopic Weight
533.142397291
ChemAxon
SMILES
N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N)N=CN=C12
ChemAxon
Molecular Formula
C21H24N7O8P
ChemAxon
InChI
InChI=1S/C21H24N7O8P/c22-12(5-10-6-24-13-4-2-1-3-11(10)13)21(31)36-37(32,33)34-7-14-16(29)17(30)20(35-14)28-9-27-15-18(23)25-8-26-19(15)28/h1-4,6,8-9,12,14,16-17,20,24,29-30H,5,7,22H2,(H,32,33)(H2,23,25,26)/t12-,14+,16+,17+,20+/m0/s1
ChemAxon
InChIKey
InChIKey=IFQVDHDRFCKAAW-SQIXAUHQSA-N
ChemAxon
Polar Surface Area (PSA)
233.95
ChemAxon
Refractivity
126.78
ChemAxon
Polarizability
50.17
ChemAxon
Rotatable Bond Count
9
ChemAxon
H Bond Acceptor Count
11
ChemAxon
H Bond Donor Count
6
ChemAxon
pKa (strongest acidic)
0.77
ChemAxon
pKa (strongest basic)
6.92
ChemAxon
Physiological Charge
-1
ChemAxon
Number of Rings
5
ChemAxon
Bioavailability
0
ChemAxon
MDDR-Like Rule
true
ChemAxon
PubChem Compound
446202
PubChem Substance
46505679
ChemSpider
393621
PDB
TYM
BE0000228
Tryptophan--tRNA ligase, cytoplasmic
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
Tryptophan--tRNA ligase, cytoplasmic
Translation, ribosomal structure and biogenesis
WARS
14q32.31
None
6.15
53166.0
Human
HUGO Gene Nomenclature Committee (HGNC)
HGNC:12729
GenAtlas
WARS
GeneCards
WARS
GenBank Gene Database
M77804
GenBank Protein Database
184657
UniProtKB
P23381
UniProt Accession
SYWC_HUMAN
EC 6.1.1.2
hWRS
IFP53
TrpRS
Tryptophan-- tRNA ligase
>Tryptophanyl-tRNA synthetase
MPNSEPASLLELFNSIATQGELVRSLKAGNASKDEIDSAVKMLVSLKMSYKAAAGEDYKA
DCPPGNPAPTSNHGPDATEAEEDFVDPWTVQTSSAKGIDYDKLIVRFGSSKIDKELINRI
ERATGQRPHHFLRRGIFFSHRDMNQVLDAYENKKPFYLYTGRGPSSEAMHVGHLIPFIFT
KWLQDVFNVPLVIQMTDDEKYLWKDLTLDQAYSYAVENAKDIIACGFDINKTFIFSDLDY
MGMSSGFYKNVVKIQKHVTFNQVKGIFGFTDSDCIGKISFPAIQAAPSFSNSFPQIFRDR
TDIQCLIPCAIDQDPYFRMTRDVAPRIGYPKPALLHSTFFPALQGAQTKMSASDPNSSIF
LTDTAKQIKTKVNKHAFSGGRDTIEEHRQFGGNCDVDVSFMYLTFFLEDDDKLEQIRKDY
TSGAMLTGELKKALIEVLQPLIAEHQARRKEVTDEIVKEFMTPRKLSFDFQ
>1416 bp
ATGCCCAACAGTGAGCCCGCATCTCTGCTGGAGCTGTTCAACAGCATCGCCACACAAGGG
GAGCTCGTAAGGTCCCTCAAAGCGGGAAATGCGTCAAAGGATGAAATTGATTCTGCAGTA
AAGATGTTGGTGTCATTAAAAATGAGCTACAAAGCTGCCGCGGGGGAGGATTACAAGGCT
GACTGTCCTCCAGGGAACCCAGCACCTACCAGTAATCATGGCCCAGATGCCACAGAAGCT
GAAGAGGATTTTGTGGACCCATGGACAGTACAGACAAGCAGTGCAAAAGGCATAGACTAC
GATAAGCTCATTGTTCGGTTTGGAAGTAGTAAAATTGACAAAGAGCTAATAAACCGAATA
GAGAGAGCCACCGGCCAAAGACCACACCACTTCCTGCGCAGAGGCATCTTCTTCTCACAC
AGAGATATGAATCAGGTTCTTGATGCCTATGAAAATAAGAAGCCATTTTATCTGTACACG
GGCCGGGGCCCCTCTTCTGAAGCAATGCATGTAGGTCACCTCATTCCATTTATTTTCACA
AAGTGGCTCCAGGATGTATTTAACGTGCCCTTGGTGATCCAGATGACGGATGACGAGAAG
TATCTGTGGAAGGACCTGACCCTGGACCAGGCCTATAGCTATGCTGTGGAGAATGCCAAG
GACATCATCGCCTGTGGCTTTGACATCAACAAGACTTTCATATTCTCTGACCTGGACTAC
ATGGGGATGAGCTCAGGTTTCTACAAAAATGTGGTGAAGATTCAAAAGCATGTTACCTTC
AACCAAGTGAAAGGCATTTTCGGCTTCACTGACAGCGACTGCATTGGGAAGATCAGTTTT
CCTGCCATCCAGGCTGCTCCCTCCTTCAGCAACTCATTCCCACAGATCTTCCGAGACAGG
ACGGATATCCAGTGCCTTATCCCATGTGCCATTGACCAGGATCCTTACTTTAGAATGACA
AGGGACGTCGCCCCCAGGATCGGCTATCCTAAACCAGCCCTGTTGCACTCCACCTTCTTC
CCAGCCCTGCAGGGCGCCCAGACCAAAATGAGTGCCAGCGACCCCAACTCCTCCATCTTC
CTCACCGACACGGCCAAGCAGATCAAAACCAAGGTCAATAAGCATGCGTTTTCTGGAGGG
AGAGACACCATCGAGGAGCACAGGCAGTTTGGGGGCAACTGTGATGTGGACGTGTCTTTC
ATGTACCTGACCTTCTTCCTCGAGGACGACGACAAGCTCGAGCAGATCAGGAAGGATTAC
ACCAGCGGAGCCATGCTCACCGGTGAGCTCAAGAAGGCACTCATAGAGGTTCTGCAGCCC
TTGATCGCAGAGCACCAGGCCCGGCGCAAGGAGGTCACGGATGAGATAGTGAAAGAGTTC
ATGACTCCCCGGAAGCTGTCCTTCGACTTTCAGTAG
PF00458
WHEP-TRS
PF00579
tRNA-synt_1b
function
catalytic activity
function
tRNA ligase activity
function
nucleotide binding
function
purine nucleotide binding
function
adenyl nucleotide binding
function
tryptophan-tRNA ligase activity
function
ATP binding
function
ligase activity
function
binding
function
ligase activity, forming phosphoric ester bonds
function
RNA ligase activity
process
metabolism
process
RNA metabolism
process
cellular metabolism
process
tRNA metabolism
process
tRNA aminoacylation
process
tRNA aminoacylation for protein translation
process
tryptophanyl-tRNA aminoacylation
process
nucleobase, nucleoside, nucleotide and nucleic acid metabolism
process
physiological process
BE0001343
Tryptophan--tRNA ligase
Geobacillus stearothermophilus
# 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
Tryptophan--tRNA ligase
Translation, ribosomal structure and biogenesis
ATP + L-tryptophan + tRNA(Trp) = AMP + diphosphate + L-tryptophyl-tRNA(Trp)
trpS
Cytoplasm
None
6.64
37193.0
Geobacillus stearothermophilus
GenBank Gene Database
M14742
GenBank Protein Database
143784
UniProtKB
P00953
UniProt Accession
SYW_GEOSE
EC 6.1.1.2
TrpRS
Tryptophan--tRNA ligase
>Tryptophanyl-tRNA synthetase
MKTIFSGIQPSGVITIGNYIGALRQFVELQHEYNCYFCIVDQHAITVWQDPHELRQNIRR
LAAKYLAVGIDPTQATLFIQSEVPAHAQAAWMLQCIVYIGELERMTQFKEKSAGKEAVSA
GLLTYPPLMAADILLYNTDIVPVGEDQKQHIELTRDLAERFNKRYGELFTIPEARIPKVG
ARIMSLVDPTKKMSKSDPNPKAYITLLDDAKTIEKKIKSAVTDSEGTIRYDKEAKPGISN
LLNIYSTLSGQSIEELERQYEGKGYGVFKADLAQVVIETLRPIQERYHHWMESEELDRVL
DEGAEKANRVASEMVRKMEQAMGLGRRR
>987 bp
ATGAAAACCATTTTTTCCGGCATTCAGCCAAGCGGCGTCATCACCATTGGCAACTATATT
GGGGCGCTGCGGCAGTTTGTCGAGCTGCAGCATGAATACAACTGCTATTTTTGCATCGTT
GACCAACACGCCATTACCGTTTGGCAAGACCCACACGAACTGCGGCAAAACATCCGCCGC
CTCGCCGCAAAGTATTTGGCCGTCGGCATCGACCCGACGCAAGCGACGTTGTTCATCCAG
TCAGAAGTGCCGGCGCACGCTCAAGCCGCTTGGATGCTGCAGTGCATCGTTTATATCGGC
GAACTTGAGCGGATGACGCAATTTAAAGAAAAATCGGCCGGCAAAGAGGCGGTCAGCGCC
GGGCTGCTCACGTACCCGCCGCTGATGGCCGCTGACATTTTGCTTTATAACACCGACATC
GTCCCGGTCGGCGAAGACCAAAAGCAGCATATCGAATTGACGCGGGATCTGGCCGAGCGC
TTCAACAAACGGTATGGCGAGCTGTTTACGATCCCTGAGGCGCGCATTCCGAAAGTCGGC
GCCCGCATCATGTCGCTTGTCGACCCGACGAAAAAAATGAGCAAATCCGACCCCAACCCG
AAAGCGTACATCACACTGCTTGACGATGCGAAAACGATCGAGAAGAAGATCAAAAGCGCG
GTCACCGACTCGGAAGGAACGATTCGCTACGACAAAGAAGCGAAGCCAGGCATTTCGAAC
TTGCTCAATATTTATTCGACCCTATCCGGTCAATCGATCGAGGAGTTGGAGCGGCAATAC
GAAGGAAAAGGATACGGCGTCTTCAAAGCAGACCTCGCTCAAGTCGTCATCGAAACGCTT
CGACCGATTCAAGAGCGGTATCACCATTGGATGGAAAGCGAGGAGCTTGACCGCGTGTTG
GATGAAGGGGCGGAAAAAGCAAATCGGGTTGCATCGGAAATGGTGCGAAAAATGGAGCAA
GCCATGGGGCTCGGGCGGCGGCGGTAA
PF00579
tRNA-synt_1b
function
RNA ligase activity
function
catalytic activity
function
tRNA ligase activity
function
nucleotide binding
function
purine nucleotide binding
function
adenyl nucleotide binding
function
tryptophan-tRNA ligase activity
function
ATP binding
function
ligase activity
function
binding
function
ligase activity, forming phosphoric ester bonds
process
metabolism
process
RNA metabolism
process
cellular metabolism
process
tRNA metabolism
process
tRNA aminoacylation
process
tRNA aminoacylation for protein translation
process
tryptophanyl-tRNA aminoacylation
process
nucleobase, nucleoside, nucleotide and nucleic acid metabolism
process
physiological process
"
|
drugbank:interactsWith | |
owl:sameAs |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource appears as object in 4 triples