Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03455"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"(1h-Indol-3-Yl)-(2-Mercapto-Ethoxyimino)-Acetic Acid"
|
| rdf:type | |
| drugbank:description |
"
experimental
This compound belongs to the indole-3-acetic acid derivatives. These are compounds containing an acetic acid (or a derivative) linked to the C3 carbon atom of an indole.
Indole-3-acetic Acid Derivatives
Organic Compounds
Heterocyclic Compounds
Indoles and Derivatives
Indolyl Carboxylic Acids and Derivatives
Alpha Amino Acids and Derivatives
Indoles
Substituted Pyrroles
Benzene and Substituted Derivatives
Enolates
Carboxylic Acids
Polyamines
Alkylthiols
alpha-amino acid or derivative
indole
substituted pyrrole
benzene
pyrrole
alkylthiol
polyamine
enolate
carboxylic acid derivative
carboxylic acid
amine
organonitrogen compound
logP
1.27
ALOGPS
logS
-3.4
ALOGPS
Water Solubility
1.06e-01 g/l
ALOGPS
logP
1.42
ChemAxon
IUPAC Name
(2R)-2-(1H-indol-3-yl)-2-[(2-sulfanylethoxy)amino]acetic acid
ChemAxon
Traditional IUPAC Name
(R)-1H-indol-3-yl[(2-sulfanylethoxy)amino]acetic acid
ChemAxon
Molecular Weight
266.316
ChemAxon
Monoisotopic Weight
266.072513014
ChemAxon
SMILES
[H][C@](NOCCS)(C(O)=O)C1=CNC2=C1C=CC=C2
ChemAxon
Molecular Formula
C12H14N2O3S
ChemAxon
InChI
InChI=1S/C12H14N2O3S/c15-12(16)11(14-17-5-6-18)9-7-13-10-4-2-1-3-8(9)10/h1-4,7,11,13-14,18H,5-6H2,(H,15,16)/t11-/m1/s1
ChemAxon
InChIKey
InChIKey=FJAWIBGKKKXXAL-LLVKDONJSA-N
ChemAxon
Polar Surface Area (PSA)
74.35
ChemAxon
Refractivity
80.66
ChemAxon
Polarizability
27.27
ChemAxon
Rotatable Bond Count
6
ChemAxon
H Bond Acceptor Count
4
ChemAxon
H Bond Donor Count
4
ChemAxon
pKa (strongest acidic)
4.38
ChemAxon
pKa (strongest basic)
2.65
ChemAxon
Physiological Charge
-1
ChemAxon
Number of Rings
2
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
PubChem Compound
447066
PubChem Substance
46507395
ChemSpider
394263
PDB
MPE
BE0001029
Interleukin-2
Human
# 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
Interleukin-2
Involved in interleukin-2 receptor binding
Produced by T-cells in response to antigenic or mitogenic stimulation, this protein is required for T-cell proliferation and other activities crucial to regulation of the immune response. Can stimulate B-cells, monocytes, lymphokine- activated killer cells, natural killer cells, and glioma cells
IL2
4q26-q27
Secreted protein
None
7.95
17628.0
Human
HUGO Gene Nomenclature Committee (HGNC)
HGNC:6001
GenAtlas
IL2
GeneCards
IL2
GenBank Gene Database
J00264
GenBank Protein Database
5729676
UniProtKB
P60568
UniProt Accession
IL2_HUMAN
Aldesleukin
IL-2
Interleukin-2 precursor
T-cell growth factor
TCGF
>Interleukin-2 precursor
MYRMQLLSCIALSLALVTNSAPTSSSTKKTQLQLEHLLLDLQMILNGINNYKNPKLTRML
TFKFYMPKKATELKHLQCLEEELKPLEEVLNLAQSKNFHLRPRDLISNINVIVLELKGSE
TTFMCEYADETATIVEFLNRWITFCQSIISTLT
>462 bp
ATGTACAGGATGCAACTCCTGTCTTGCATTGCACTAAGTCTTGCACTTGTCACAAACAGT
GCACCTACTTCAAGTTCTACAAAGAAAACACAGCTACAACTGGAGCATTTACTGCTGGAT
TTACAGATGATTTTGAATGGAATTAATAATTACAAGAATCCCAAACTCACCAGGATGCTC
ACATTTAAGTTTTACATGCCCAAGAAGGCCACAGAACTGAAACATCTTCAGTGTCTAGAA
GAAGAACTCAAACCTCTGGAGGAAGTGCTAAATTTAGCTCAAAGCAAAAACTTTCACTTA
AGACCCAGGGACTTAATCAGCAATATCAACGTAATAGTTCTGGAACTAAAGGGATCTGAA
ACAACATTCATGTGTGAATATGCTGATGAGACAGCAACCATTGTAGAATTTCTGAACAGA
TGGATTACCTTTTGTCAAAGCATCATCTCAACACTGACTTGA
PF00715
IL2
component
extracellular region
function
growth factor activity
function
receptor binding
function
cytokine activity
function
hematopoietin/interferon-class (D200-domain) cytokine receptor binding
function
interleukin-2 receptor binding
function
signal transducer activity
process
response to stimulus
process
response to biotic stimulus
process
defense response
process
immune response
"
|
| 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