Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB07481"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"tert-butyl [(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]carbamate"
|
| rdf:type | |
| drugbank:description |
"
experimental
This compound belongs to the pyrrolopyrimidines. These are compounds containing a pyrrolopyrimidine moiety, which consists of a pyrrole ring fused to a pyrimidine.
Pyrrolopyrimidines
Organic Compounds
Heterocyclic Compounds
Pyrrolopyrimidines
Pyrimidones
Substituted Pyrroles
Primary Aromatic Amines
Carbamic Acids and Derivatives
Ethers
Polyamines
pyrimidone
primary aromatic amine
substituted pyrrole
pyrimidine
pyrrole
carbamic acid derivative
polyamine
ether
amine
primary amine
organonitrogen compound
logP
0.42
ALOGPS
logS
-3
ALOGPS
Water Solubility
2.53e-01 g/l
ALOGPS
logP
0.28
ChemAxon
IUPAC Name
tert-butyl N-({2-amino-4-oxo-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-5-yl}methyl)carbamate
ChemAxon
Traditional IUPAC Name
tert-butyl N-({2-amino-4-oxo-3H,7H-pyrrolo[2,3-d]pyrimidin-5-yl}methyl)carbamate
ChemAxon
Molecular Weight
279.2951
ChemAxon
Monoisotopic Weight
279.133139435
ChemAxon
SMILES
CC(C)(C)OC(=O)NCC1=CNC2=C1C(=O)NC(N)=N2
ChemAxon
Molecular Formula
C12H17N5O3
ChemAxon
InChI
InChI=1S/C12H17N5O3/c1-12(2,3)20-11(19)15-5-6-4-14-8-7(6)9(18)17-10(13)16-8/h4H,5H2,1-3H3,(H,15,19)(H4,13,14,16,17,18)
ChemAxon
InChIKey
InChIKey=RXVQMCMIOHBKNE-UHFFFAOYSA-N
ChemAxon
Polar Surface Area (PSA)
121.6
ChemAxon
Refractivity
73.55
ChemAxon
Polarizability
28.51
ChemAxon
Rotatable Bond Count
4
ChemAxon
H Bond Acceptor Count
4
ChemAxon
H Bond Donor Count
4
ChemAxon
pKa (strongest acidic)
11.03
ChemAxon
pKa (strongest basic)
5.45
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
2
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
PubChem Compound
25113137
PubChem Substance
99443952
PDB
BPQ
BE0001405
Queuine tRNA-ribosyltransferase
Zymomonas mobilis subsp. mobilis (strain ATCC 31821 / ZM4 / CP4)
# 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
Queuine tRNA-ribosyltransferase
Translation, ribosomal structure and biogenesis
Exchanges the guanine residue with 7-aminomethyl-7- deazaguanine in tRNAs with GU(N) anticodons (tRNA-Asp, -Asn, -His and -Tyr). After this exchange, a cyclopentendiol moiety is attached to the 7-aminomethyl group of 7-deazaguanine, resulting in the hypermodified nucleoside queuosine (Q) (7-(((4,5-cis- dihydroxy-2-cyclopenten-1-yl)amino)methyl)-7-deazaguanosine)
tgt
None
6.85
42843.0
Zymomonas mobilis subsp. mobilis (strain ATCC 31821 / ZM4 / CP4)
GenBank Gene Database
L33777
GenBank Protein Database
498141
UniProtKB
P28720
UniProt Accession
TGT_ZYMMO
EC 2.4.2.29
Guanine insertion enzyme
tRNA-guanine transglycosylase
>Queuine tRNA-ribosyltransferase
MVEATAQETDRPRFSFSIAAREGKARTGTIEMKRGVIRTPAFMPVGTAATVKALKPETVR
ATGADIILGNTYHLMLRPGAERIAKLGGLHSFMGWDRPILTDSGGYQVMSLSSLTKQSEE
GVTFKSHLDGSRHMLSPERSIEIQHLLGSDIVMAFDECTPYPATPSRAASSMERSMRWAK
RSRDAFDSRKEQAENAALFGIQQGSVFENLRQQSADALAEIGFDGYAVGGLAVGEGQDEM
FRVLDFSVPMLPDDKPHYLMGVGKPDDIVGAVERGIDMFDCVLPTRSGRNGQAFTWDGPI
NIRNARFSEDLTPLDSECHCAVCQKWSRAYIHHLIRAGEILGAMLMTEHNIAFYQQLMQK
IRDSISEGRFSQFAQDFRARYFARNS
>1200 bp
ATGAGCTTGGAAATGATGACGGCAGTCAAAGGAAGAAATGTGGTAGAAGCAACAGCGCAA
GAGACCGATCGTCCGCGTTTTTCTTTTTCAATCGCGGCAAGGGAAGGAAAAGCCCGCACC
GGCACTATCGAAATGAAGCGGGGCGTTATCCGAACCCCTGCCTTTATGCCGGTTGGCACG
GCAGCTACCGTAAAGGCTTTAAAGCCGGAAACAGTTCGGGCAACTGGCGCTGATATTATC
TTGGGGAATACCTATCATCTGATGCTTCGTCCGGGTGCCGAACGGATAGCTAAGCTGGGC
GGATTACATTCTTTTATGGGGTGGGATCGGCCTATTTTGACGGATAGCGGCGGGTATCAG
GTGATGAGCCTATCTTCTTTGACGAAGCAGAGCGAAGAGGGCGTTACCTTTAAAAGTCAC
CTTGACGGTTCCCGCCATATGCTGTCGCCGGAACGTTCTATCGAAATCCAGCATTTACTA
GGCAGTGATATCGTAATGGCCTTTGACGAATGCACGCCTTATCCAGCAACGCCTTCGCGC
GCGGCCTCGTCAATGGAACGCTCGATGCGGTGGGCGAAAAGATCACGGGATGCCTTTGAT
AGCCGAAAAGAACAGGCAGAAAATGCGGCTTTGTTCGGAATTCAACAAGGTTCTGTTTTT
GAAAATCTGCGGCAACAATCGGCGGATGCTCTGGCTGAAATCGGCTTTGATGGCTATGCT
GTTGGGGGATTGGCTGTGGGTGAAGGACAGGATGAAATGTTCCGTGTCCTTGATTTTTCT
GTGCCGATGCTGCCCGATGACAAACCTCATTATCTTATGGGCGTTGGTAAGCCTGATGAT
ATCGTTGGAGCGGTTGAACGCGGCATTGATATGTTCGATTGCGTCTTGCCGACACGTTCC
GGTCGGAATGGGCAAGCCTTTACATGGGATGGGCCTATCAATATCAGAAATGCCCGTTTT
TCAGAAGATTTGAAGCCGTTGGATAGTGAATGTCATTGTGCCGTTTGCCAGAAATGGAGC
CGCGCCTATATCCATCATTTAATTCGGGCGGGTGAGATCTTGGGGGCTATGCTGATGACA
GAGCATAATATCGCCTTTTATCAACAGCTTATGCAAAAAATACGGGACTCTATTTCGGAG
GGGCGTTTTTCGCAATTTGCTCAGGATTTCAGAGCGCGCTATTTCGCACGGAATAGCTAG
PF01702
TGT
function
catalytic activity
function
transferase activity
function
transferase activity, transferring glycosyl groups
function
transferase activity, transferring pentosyl groups
function
queuine tRNA-ribosyltransferase activity
process
queuosine biosynthesis
process
metabolism
process
cellular metabolism
process
nucleobase, nucleoside, nucleotide and nucleic acid metabolism
process
RNA metabolism
process
tRNA metabolism
process
physiological process
process
tRNA modification
"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
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