Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB01882"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"(2s)-2-Amino-4-(Methylsulfanyl)-1-Pyridin-2-Ylbutane-1,1-Diol"
|
| rdf:type | |
| drugbank:description |
"
experimental
This compound belongs to the pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.
Pyridines and Derivatives
Organic Compounds
Heterocyclic Compounds
Pyridines and Derivatives
Thioethers
Carbonyl Hydrates
Polyamines
Monoalkylamines
carbonyl hydrate
polyamine
thioether
amine
primary amine
primary aliphatic amine
organonitrogen compound
logP
-0.1
ALOGPS
logS
-1.4
ALOGPS
Water Solubility
9.28e+00 g/l
ALOGPS
logP
0.2
ChemAxon
IUPAC Name
(2S)-2-amino-4-(methylsulfanyl)-1-(pyridin-2-yl)butane-1,1-diol
ChemAxon
Traditional IUPAC Name
(2S)-2-amino-4-(methylsulfanyl)-1-(pyridin-2-yl)butane-1,1-diol
ChemAxon
Molecular Weight
228.311
ChemAxon
Monoisotopic Weight
228.093248456
ChemAxon
SMILES
[H][C@](N)(CCSC)C(O)(O)C1=CC=CC=N1
ChemAxon
Molecular Formula
C10H16N2O2S
ChemAxon
InChI
InChI=1S/C10H16N2O2S/c1-15-7-5-8(11)10(13,14)9-4-2-3-6-12-9/h2-4,6,8,13-14H,5,7,11H2,1H3/t8-/m0/s1
ChemAxon
InChIKey
InChIKey=JPZQHIBHGCCNKS-QMMMGPOBSA-N
ChemAxon
Polar Surface Area (PSA)
79.37
ChemAxon
Refractivity
60.94
ChemAxon
Polarizability
23.87
ChemAxon
Rotatable Bond Count
5
ChemAxon
H Bond Acceptor Count
4
ChemAxon
H Bond Donor Count
3
ChemAxon
pKa (strongest acidic)
10.24
ChemAxon
pKa (strongest basic)
8.39
ChemAxon
Physiological Charge
1
ChemAxon
Number of Rings
1
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
PubChem Compound
448220
PubChem Substance
46508857
ChemSpider
395093
PDB
M2C
BE0001319
Methionine aminopeptidase
Staphylococcus aureus (strain MW2)
# 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
Methionine aminopeptidase
Translation, ribosomal structure and biogenesis
Removes the amino-terminal methionine from nascent proteins
map
Cytoplasmic
None
4.94
27503.0
Staphylococcus aureus (strain MW2)
GenBank Gene Database
BA000033
GenBank Protein Database
21204998
UniProtKB
P0A079
UniProt Accession
MAP1_STAAW
EC 3.4.11.18
MAP
Peptidase M
>Methionine aminopeptidase
MIVKTEEELQALKEIGYICAKVRNTMQAATKPGITTKELDNIAKELFEEYGAISAPIHDE
NFPGQTCISVNEEVAHGIPSKRVIREGDLVNIDVSALKNGYYADTGISFVVGESDDPMKQ
KVCDVATMAFENAIAKVKPGTKLSNIGKAVHNTARQNDLKVIKNLTGHGVGLSLHEAPAH
VLNYFDPKDKTLLTEGMVLAIEPFISSNASFVTEGKNEWAFETSDKSFVAQIEHTVIVTK
DGPILTTKIEEE
>759 bp
CTATTCTTCTTCAATTTTTGTCGTTAAAATCGGACCATCCTTAGTCACGATAACCGTATG
CTCAATTTGAGCAACAAAACTTTTATCGCTCGTTTCAAAAGCCCATTCATTTTTACCTTC
TGTAACAAATGATGCATTTGATGAGATAAACGGTTCAATAGCTAATACCATACCTTCAGT
TAATAATGTTTTGTCTTTTGGATCAAAGTAATTAAGTACATGTGCTGGTGCTTCATGTAA
TGATAAACCAACACCATGACCTGTTAAGTTTTTAATGACTTTCAAATCATTTTGTCTAGC
TGTATTATGCACCGCTTTACCAATGTTACTTAACTTAGTACCCGGTTTTACTTTTGCAAT
TGCATTCTCAAATGCCATCGTTGCTACGTCACATACTTTTTGTTTCATTGGATCATCTGA
TTCTCCAACGACAAATGAAATGCCTGTATCTGCATAATAGCCATTCTTCAAAGCCGATAC
ATCAATATTTACTAAATCTCCTTCACGAATGACACGCTTACTTGGAATCCCATGTGCCAC
CTCTTCATTGACACTAATACACGTTTGACCAGGAAAATTTTCATCATGAATTGGCGCAGA
AATAGCACCGTATTCTTCAAATAACTCTTTCGCAATATTATCAAGCTCTTTCGTAGTGAT
ACCTGGTTTGGTTGCAGCTTGCATTGTATTGCGCACTTTAGCGCATATGTATCCAATTTC
TTTTAACGCTTGTAATTCTTCTTCTGTTTTTACAATCAT
PF00557
Peptidase_M24
function
peptidase activity
function
metallopeptidase activity
function
exopeptidase activity
function
metalloexopeptidase activity
function
catalytic activity
function
aminopeptidase activity
function
methionyl aminopeptidase activity
function
hydrolase activity
process
protein metabolism
process
cellular protein metabolism
process
proteolysis
process
physiological process
process
metabolism
process
macromolecule metabolism
BE0004187
Methionine aminopeptidase
Staphylococcus aureus (strain Mu50 / ATCC 700699)
# 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
Methionine aminopeptidase
Translation, ribosomal structure and biogenesis
Removes the amino-terminal methionine from nascent proteins
map
Cytoplasmic
None
4.94
27502.1
Staphylococcus aureus (strain Mu50 / ATCC 700699)
GeneCards
map
GenBank Gene Database
BA000017
GenBank Protein Database
14245768
UniProtKB
P0A078
UniProt Accession
MAP1_STAAM
MAP
Peptidase M
>Methionine aminopeptidase
MIVKTEEELQALKEIGYICAKVRNTMQAATKPGITTKELDNIAKELFEEYGAISAPIHDE
NFPGQTCISVNEEVAHGIPSKRVIREGDLVNIDVSALKNGYYADTGISFVVGESDDPMKQ
KVCDVATMAFENAIAKVKPGTKLSNIGKAVHNTARQNDLKVIKNLTGHGVGLSLHEAPAH
VLNYFDPKDKTLLTEGMVLAIEPFISSNASFVTEGKNEWAFETSDKSFVAQIEHTVIVTK
DGPILTTKIEEE
>1362 bp
ATGTCGGAAAAAGAAATTTGGGAAAAAGTGCTTGAAATTGCTCAAGAAAAATTATCAGCT
GTAAGTTACTCAACTTTCCTAAAAGATACTGAGCTTTACACGATTAAAGATGGTGAAGCT
ATCGTATTATCGAGTATTCCTTTTAATGCAAATTGGTTAAATCAACAATATGCTGAAATT
ATCCAAGCAATCTTATTTGATGTTGTAGGCTATGAAGTTAAACCTCACTTTATTACTACT
GAAGAATTAGCAAATTATAGTAATAATGAAACTGCTACTCCAAAAGAAACAACAAAACCT
TCTACTGAAACAACTGAGGATAATCATGTGCTTGGTAGAGAGCAATTCAATGCCCATAAC
ACATTTGACACTTTTGTAATCGGACCTGGTAACCGCTTTCCACATGCAGCAAGTTTAGCT
GTAGCCGAAGCACCAGCCAAAGCGTACAATCCATTATTTATCTATGGAGGGGTTGGTTTA
GGAAAAACCCATTTAATGCATGCCATTGGTCATCATGTTTTAGATAATAATCCAGATGCC
AAAGTGATTTACACATCAAGTGAAAAATTCACAAATGAATTTATTAAATCAATTCGTGAT
AACGAAGGTGAAGCTTTCAGAGAAAGATATCGTAATATCGACGTCTTATTAATCGATGAT
ATTCAGTTCATACAAAATAAAGTACAAACACAAGAAGAATTTTTCTATACTTTTAATGAA
TTGCATCAGAATAACAAGCAAATAGTTATTTCGAGTGATCGACCACCAAAGGAAATTGCA
CAATTAGAAGACCGATTACGTTCACGCTTTGAATGGGGGCTAATTGTTGATATTACGCCA
CCAGATTATGAAACTCGAATGGCAATTTTGCAGAAGAAAATTGAAGAAGAAAAATTAGAT
ATTCCACCAGAAGCTTTAAATTATATAGCAAATCAAATTCAATCTAATATTCGTGAATTA
GAAGGTGCATTAACACGTTTACTTGCATATTCACAATTATTAGGAAAACCAATTACAACT
GAATTAACTGCTGAAGCTTTAAAAGATATCATTCAAGCACCAAAATCTAAAAAGATTACC
ATCCAAGATATTCAAAAAATTGTAGGCCAGTACTATAATGTTAGGATTGAAGATTTCAGT
GCAAAAAAACGTACAAAGTCAATTGCATATCCGCGTCAAATAGCTATGTACTTGTCTAGA
GAGCTTACAGATTTCTCATTACCTAAAATTGGTGAAGAATTTGGTGGGCGTGATCATACG
ACCGTCATTCATGCTCATGAAAAAATATCTAAAGATTTAAAAGAAGATCCTATTTTTAAA
CAAGAAGTAGAGAATCTTGAAAAAGAAATAAGAAATGTATAA
PF00557
Peptidase_M24
function
methionyl aminopeptidase activity
function
hydrolase activity
function
peptidase activity
function
metallopeptidase activity
function
exopeptidase activity
function
metalloexopeptidase activity
function
catalytic activity
function
aminopeptidase activity
process
metabolism
process
macromolecule metabolism
process
protein metabolism
process
cellular protein metabolism
process
proteolysis
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