Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB08606"
| Predicate | Value (sorted: none) |
|---|---|
| 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
Aminopyrimidines and Derivatives
Primary Aromatic Amines
Substituted Pyrroles
Pyrrolidines
Secondary Alcohols
Tertiary Amines
Polyamines
Thioethers
aminopyrimidine
substituted pyrrole
primary aromatic amine
pyrimidine
pyrrole
pyrrolidine
tertiary amine
secondary alcohol
thioether
polyamine
primary amine
amine
alcohol
organonitrogen compound
logP
-0.07
ALOGPS
logS
-2.5
ALOGPS
Water Solubility
9.96e-01 g/l
ALOGPS
logP
0.44
ChemAxon
IUPAC Name
(3R,4S)-1-({4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl}methyl)-4-[(methylsulfanyl)methyl]pyrrolidin-3-ol
ChemAxon
Traditional IUPAC Name
(3R,4S)-1-({4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl}methyl)-4-[(methylsulfanyl)methyl]pyrrolidin-3-ol
ChemAxon
Molecular Weight
293.388
ChemAxon
Monoisotopic Weight
293.131030945
ChemAxon
SMILES
[H][C@]1(O)CN(CC2=CNC3=C(N)N=CN=C23)C[C@]1([H])CSC
ChemAxon
Molecular Formula
C13H19N5OS
ChemAxon
InChI
InChI=1S/C13H19N5OS/c1-20-6-9-4-18(5-10(9)19)3-8-2-15-12-11(8)16-7-17-13(12)14/h2,7,9-10,15,19H,3-6H2,1H3,(H2,14,16,17)/t9-,10+/m1/s1
ChemAxon
InChIKey
InChIKey=NTHMDFGHOCNNOE-ZJUUUORDSA-N
ChemAxon
Polar Surface Area (PSA)
91.06
ChemAxon
Refractivity
82.52
ChemAxon
Polarizability
31.34
ChemAxon
Rotatable Bond Count
4
ChemAxon
H Bond Acceptor Count
5
ChemAxon
H Bond Donor Count
3
ChemAxon
pKa (strongest acidic)
13.47
ChemAxon
pKa (strongest basic)
8.71
ChemAxon
Physiological Charge
1
ChemAxon
Number of Rings
3
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
PubChem Compound
656970
PubChem Substance
99445077
ChemSpider
571206
PDB
TDI
BE0002007
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase
Escherichia coli (strain K12)
# 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
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase
Nucleotide transport and metabolism
Responsible for cleavage of the glycosidic bond in both 5'-methylthioadenosine (MTA) and S-adenosylhomocysteine (SAH)
mtnN
Cytoplasmic
None
4.9
24354.0
Escherichia coli (strain K12)
GenBank Gene Database
U24438
GenBank Protein Database
2981267
UniProtKB
P0AF12
UniProt Accession
MTNN_ECOLI
5'-methylthioadenosine nucleosidase
EC 3.2.2.9
P46
S-adenosylhomocysteine nucleosidase
>MTA/SAH nucleosidase
MKIGIIGAMEEEVTLLRDKIENRQTISLGGCEIYTGQLNGTEVALLKSGIGKVAAALGAT
LLLEHCKPDVIINTGSAGGLAPTLKVGDIVVSDEARYHDADVTAFGYEYGQLPGCPAGFK
ADDKLIAAAEACIAELNLNAVRGLIVSGDAFINGSVGLAKIRHNFPQAIAVEMEATAIAH
VCHNFNVPFVVVRAISDVADQQSHLSFDEFLAVAAKQSSLMVESLVQKLAHG
>699 bp
ATGAAAATCGGCATCATTGGTGCAATGGAAGAAGAAGTTACGCTGCTGCGTGACAAAATC
GAAAACCGTCAAACTATCAGTCTCGGCGGTTGCGAAATCTATACCGGCCAACTGAATGGA
ACCGAGGTTGCGCTTCTGAAATCGGGCATCGGTAAAGTCGCTGCGGCGCTGGGTGCCACT
TTGCTGTTGGAACACTGCAAGCCAGATGTGATTATTAACACCGGTTCTGCCGGTGGCCTG
GCACCAACGTTGAAAGTGGGCGATATCGTTGTCTCGGACGAAGCACGTTATCACGACGCG
GATGTCACGGCATTTGGTTATGAATACGGTCAGTTACCAGGCTGTCCGGCAGGCTTTAAA
GCTGACGATAAACTGATCGCTGCCGCTGAGGCCTGCATTGCCGAACTGAATCTTAACGCT
GTACGTGGCCTGATTGTTAGCGGCGACGCTTTCATCAACGGTTCTGTTGGTCTGGCGAAA
ATCCGCCACAACTTCCCACAGGCCATTGCTGTAGAGATGGAAGCGACGGCAATCGCCCAT
GTCTGCCACAATTTCAACGTCCCGTTTGTTGTCGTACGCGCCATCTCCGACGTGGCCGAT
CAACAGTCTCATCTTAGCTTCGATGAGTTCCTGGCTGTTGCCGCTAAACAGTCCAGCCTG
ATGGTTGAGTCACTGGTGCAGAAACTTGCACATGGCTAA
PF01048
PNP_UDP_1
function
methylthioadenosine nucleosidase activity
function
adenosylhomocysteine nucleosidase activity
function
hydrolase activity
function
hydrolase activity, acting on glycosyl bonds
function
hydrolase activity, hydrolyzing N-glycosyl compounds
function
catalytic activity
process
metabolism
process
cellular metabolism
process
amino acid metabolism
process
methionine salvage
process
amino acid and derivative metabolism
process
nucleoside catabolism
process
nucleobase, nucleoside, nucleotide and nucleic acid metabolism
process
nucleoside metabolism
process
sulfur amino acid metabolism
process
physiological process
process
methionine metabolism
"
|
| rdf:type | |
| rdfs:label |
"(3R,4S)-1-[(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)METHYL]-4-[(METHYLSULFANYL)METHYL]PYRROLIDIN-3-OL"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object