Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02158"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"(1s)-1-(9-Deazaadenin-9-Yl)-1,4,5-Trideoxy-1,4-Imino-5-Methylthio-D-Ribitol"
|
| 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
Substituted Pyrroles
Pyrrolidines
Secondary Alcohols
1,2-Aminoalcohols
1,2-Diols
Polyamines
Dialkylamines
Thioethers
Carboxamidines
Monoalkylamines
substituted pyrrole
pyrrole
pyrrolidine
1,2-aminoalcohol
secondary alcohol
1,2-diol
amidine
secondary amine
secondary aliphatic amine
thioether
polyamine
carboxylic acid amidine
primary aliphatic amine
alcohol
amine
primary amine
organonitrogen compound
logP
-1.6
ALOGPS
logS
-2.5
ALOGPS
Water Solubility
8.76e-01 g/l
ALOGPS
logP
-1.4
ChemAxon
IUPAC Name
(2S,3S,4R,5S)-2-[(4R)-4-amino-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-7-yl]-5-[(methylsulfanyl)methyl]pyrrolidine-3,4-diol
ChemAxon
Traditional IUPAC Name
(2S,3S,4R,5S)-2-[(4R)-4-amino-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-7-yl]-5-[(methylsulfanyl)methyl]pyrrolidine-3,4-diol
ChemAxon
Molecular Weight
297.377
ChemAxon
Monoisotopic Weight
297.125945567
ChemAxon
SMILES
CSC[C@H]1N[C@H]([C@H](O)[C@@H]1O)C1=CNC2=C1N=CN[C@H]2N
ChemAxon
Molecular Formula
C12H19N5O2S
ChemAxon
InChI
InChI=1S/C12H19N5O2S/c1-20-3-6-10(18)11(19)8(17-6)5-2-14-9-7(5)15-4-16-12(9)13/h2,4,6,8,10-12,14,17-19H,3,13H2,1H3,(H,15,16)/t6-,8+,10-,11+,12-/m1/s1
ChemAxon
InChIKey
InChIKey=YLCQGEBEQIBOOJ-XKBJCNPTSA-N
ChemAxon
Polar Surface Area (PSA)
118.69
ChemAxon
Refractivity
79.17
ChemAxon
Polarizability
31.06
ChemAxon
Rotatable Bond Count
3
ChemAxon
H Bond Acceptor Count
6
ChemAxon
H Bond Donor Count
6
ChemAxon
pKa (strongest acidic)
12.93
ChemAxon
pKa (strongest basic)
8.64
ChemAxon
Physiological Charge
2
ChemAxon
Number of Rings
3
ChemAxon
Bioavailability
1
ChemAxon
PubChem Compound
46936314
PubChem Substance
46508814
PDB
MTM
BE0001128
S-methyl-5'-thioadenosine phosphorylase
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
S-methyl-5'-thioadenosine phosphorylase
Nucleotide transport and metabolism
Plays a major role in polyamine metabolism and is important for the salvage of both adenine and methionine
MTAP
9p21
Cytoplasm
None
7.21
31236.0
Human
HUGO Gene Nomenclature Committee (HGNC)
HGNC:7413
GenAtlas
MTAP
GeneCards
MTAP
GenBank Gene Database
U22233
GenBank Protein Database
847724
UniProtKB
Q13126
UniProt Accession
MTAP_HUMAN
5'- methylthioadenosine phosphorylase
EC 2.4.2.28
MTA phosphorylase
MTAPase
>S-methyl-5-thioadenosine phosphorylase
MASGTTTTAVKIGIIGGTGLDDPEILEGRTEKYVDTPFGKPSDALILGKIKNVDCVLLAR
HGRQHTIMPSKVNYQANIWALKEEGCTHVIVTTACGSLREEIQPGDIVIIDQFIDRTTMR
PQSFYDGSHSCARGVCHIPMAEPFCPKTREVLIETAKKLGLRCHSKGTMVTIEGPRFSSR
AESFMFRTWGADVINMTTVPEVVLAKEAGICYASIAMATDYDCWKEHEEAVSVDRVLKTL
KENANKAKSLLLTTIPQIGSTEWSETLHNLKNMAQFSVLLPRH
>852 bp
ATGGCCTCTGGCACCACCACCACCGCCGTGAAGATTGGAATAATTGGTGGAACAGGCCTG
GATGATCCAGAAATTTTAGAAGGAAGAACTGAAAAATATGTGGATACTCCATTTGGCAAG
CCATCTGATGCCTTAATTTTGGGGAAGATAAAAAATGTTGATTGCATCCTCCTTGCAAGG
CATGGAAGGCAGCACACCATCATGCCTTCAAAGGTCAACTACCAGGCGAACATCTGGGCT
TTGAAGGAAGAGGGCTGTACACATGTCATAGTGACCACAGCTTGTGGCTCCTTGAGGGAG
GAGATTCAGCCCGGCGATATTGTCATTATTGATCAGTTCATTGACAGGACCACTATGAGA
CCTCAGTCCTTCTATGATGGAAGTCATTCTTGTGCCAGAGGAGTGTGCCATATTCCAATG
GCTGAGCCGTTTTGCCCCAAAACGAGAGAGGTTCTTATAGAGACTGCTAAGAAGCTAGGA
CTCCGGTGCCACTCAAAGGGGACAATGGTCACAATCGAGGGACCTCGTTTTAGCTCCCGG
GCAGAAAGCTTCATGTTCCGCACCTGGGGGGCGGATGTTATCAACATGACCACAGTTCCA
GAGGTGGTTCTTGCTAAGGAGGCTGGAATTTGTTACGCAAGTATCGCCATGGCGACAGAT
TATGACTGCTGGAAGGAGCACGAGGAAGCAGTTTCGGTGGACCGGGTCTTAAAGACCCTG
AAAGAAAACGCTAATAAAGCCAAAAGCTTACTGCTCACTACCATACCTCAGATAGGGTCC
ACAGAATGGTCAGAAACCCTCCATAACCTGAAGAATATGGCCCAGTTTTCTGTTTTATTA
CCAAGACATTAA
BE0002007
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase
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
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
methionine metabolism
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
"
|
| owl:sameAs |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines2/drugbank_small.nt
The resource does not appear as an object