Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB04472"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"(R)-1-Para-Nitro-Phenyl-2-Azido-Ethanol"
|
| rdf:type | |
| drugbank:description |
"
experimental
This compound belongs to the nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
Nitrobenzenes
Organic Compounds
Benzenoids
Benzene and Substituted Derivatives
Nitrobenzenes
Secondary Alcohols
Nitronic Acids
Organic Azides
Nitro Compounds
Polyamines
Organic Oxoazanium Compounds
nitronic acid
secondary alcohol
nitro compound
azide
polyamine
organic oxoazanium
alcohol
organonitrogen compound
amine
logP
2.05
ALOGPS
logS
-1.9
ALOGPS
Water Solubility
2.70e+00 g/l
ALOGPS
logP
1.34
ChemAxon
IUPAC Name
(1R)-2-azido-1-(4-nitrophenyl)ethan-1-ol
ChemAxon
Traditional IUPAC Name
(1R)-2-azido-1-(4-nitrophenyl)ethanol
ChemAxon
Molecular Weight
208.1741
ChemAxon
Monoisotopic Weight
208.059640142
ChemAxon
SMILES
[H][C@](O)(CN=[N+]=[N-])C1=CC=C(C=C1)[N+]([O-])=O
ChemAxon
Molecular Formula
C8H8N4O3
ChemAxon
InChI
InChI=1S/C8H8N4O3/c9-11-10-5-8(13)6-1-3-7(4-2-6)12(14)15/h1-4,8,13H,5H2/t8-/m0/s1
ChemAxon
InChIKey
InChIKey=DHEGJYKMZJGYGW-QMMMGPOBSA-N
ChemAxon
Polar Surface Area (PSA)
95.48
ChemAxon
Refractivity
52.45
ChemAxon
Polarizability
18.73
ChemAxon
Rotatable Bond Count
4
ChemAxon
H Bond Acceptor Count
5
ChemAxon
H Bond Donor Count
1
ChemAxon
pKa (strongest acidic)
13.73
ChemAxon
pKa (strongest basic)
-3.5
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
1
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
PubChem Compound
11481186
PubChem Substance
46508026
ChemSpider
9656006
PDB
RPN
BE0003318
Halohydrin dehalogenase
Agrobacterium tumefaciens
# 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
Halohydrin dehalogenase
Involved in oxidoreductase activity
hheC
None
5.14
27952.0
Agrobacterium tumefaciens
GenBank Gene Database
AF397296
UniProtKB
Q93D82
UniProt Accession
Q93D82_RHIRD
>Halohydrin dehalogenase
MSTAIVTNVKHFGGMGSALRLSEAGHTVACHDESFKQKDELEAFAETYPQLKPMSEQEPA
ELIEAVTSAYGQVDVLVSNDIFAPEFQPIDKYAVEDYRGAVEALQIRPFALVNAVASQMK
KRKSGHIIFITSATPFGPWKELSTYTSARAGACTLANALSKELGEYNIPVFAIGPNYLHS
EDSPYFYPTEPWKTNPEHVAHVKKVTALQRLGTQKELGELVAFLASGSCDYLTGQVFWLA
GGFPMIERWPGMPE
>765 bp
ATGTCAACCGCAATTGTAACAAACGTTAAGCATTTTGGGGGAATGGGGTCTGCACTTCGT
CTCTCGGAAGCAGGACATACAGTGGCTTGCCACGATGAAAGCTTCAAACAAAAGGACGAA
CTTGAAGCCTTTGCCGAAACCTATCCACAACTCAAACCAATGTCGGAACAAGAACCAGCG
GAACTCATCGAGGCAGTTACCTCCGCTTATGGTCAAGTTGATGTACTTGTGAGCAACGAC
ATATTCGCACCAGAGTTCCAACCCATAGATAAATACGCTGTAGAGGACTATCGCGGTGCG
GTCGAGGCGCTACAAATTAGACCATTTGCACTGGTCAACGCCGTTGCAAGTCAAATGAAG
AAGCGCAAAAGCGGACATATTATCTTTATTACCTCTGCAACGCCCTTCGGGCCTTGGAAG
GAACTTTCTACCTACACGTCAGCCCGAGCAGGTGCATGCACCTTGGCAAATGCCCTTTCG
AAGGAACTCGGTGAATACAACATTCCGGTGTTCGCAATAGGACCCAATTATCTTCACAGT
GAAGATAGTCCCTACTTCTACCCCACAGAACCGTGGAAAACGAATCCAGAACACGTTGCC
CATGTCAAAAAAGTCACTGCGCTCCAGCGGTTAGGTACACAGAAAGAATTGGGAGAACTC
GTCGCGTTTCTCGCGTCTGGTAGTTGTGACTATCTGACCGGCCAGGTGTTCTGGTTGGCC
GGCGGATTCCCAATGATCGAGCGTTGGCCTGGTATGCCCGAGTAG
function
catalytic activity
function
oxidoreductase activity
process
physiological process
process
metabolism
BE0004333
Galectin-9
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
Galectin-9
Involved in galactose binding
Binds galactosides. Has high affinity for the Forssman pentasaccharide. May play a role in thymocyte-epithelial interactions relevant to the biology of the thymus. Inhibits cell proliferation. The isoform Short acts as an eosinophil chemoattractant. Is a ligand for HAVCR2/TIM3. Induces T-helper type 1 lymphocyte (Th1) death
LGALS9
17q11.2
Cytoplasm (By similarity). Secreted (By similarity)
None
9.41
39518.0
Human
HUGO Gene Nomenclature Committee (HGNC)
GNC:6570
GeneCards
LGALS9
GenBank Gene Database
Z49107
GenBank Protein Database
1924954
UniProtKB
O00182
UniProt Accession
LEG9_HUMAN
Ecalectin
HOM-HD-21
>Galectin-9
MAFSGSQAPYLSPAVPFSGTIQGGLQDGLQITVNGTVLSSSGTRFAVNFQTGFSGNDIAF
HFNPRFEDGGYVVCNTRQNGSWGPEERKTHMPFQKGMPFDLCFLVQSSDFKVMVNGILFV
QYFHRVPFHRVDTISVNGSVQLSYISFQNPRTVPVQPAFSTVPFSQPVCFPPRPRGRRQK
PPGVWPANPAPITQTVIHTVQSAPGQMFSTPAIPPMMYPHPAYPMPFITTILGGLYPSKS
ILLSGTVLPSAQRFHINLCSGNHIAFHLNPRFDENAVVRNTQIDNSWGSEERSLPRKMPF
VRGQSFSVWILCEAHCLKVAVDGQHLFEYYHRLRNLPTINRLEVGGDIQLTHVQT
>972 bp
ATGGCCTTCAGCGGTTCCCAGGCTCCCTACCTGAGTCCAGCTGTCCCCTTTTCTGGGACT
ATTCAAGGAGGTCTCCAGGACGGACTTCAGATCACTGTCAATGGGACCGTTCTCAGCTCC
AGTGGAACCAGGTTTGCTGTGAACTTTCAGACTGGCTTCAGTGGAAATGACATTGCCTTC
CACTTCAACCCTCGGTTTGAAGATGGAGGGTACGTGGTGTGCAACACGAGGCAGAACGGA
AGCTGGGGGCCCGAGGAGAGGAGGACACACATGCCTTTCCAGAAGGGGATGCCCTTTGAC
CTCTGCTTCCTGGTGCAGAGCTCAGATTTCAAGGTGATGGTGAACGGGATCCTCTTCGTG
CAGTACTTCCACCGCGTGCCCTTCCACCGTGTGGACACCATCTTCGTCAATGGCTCTGTG
CAGCTGTCCTACATCAGCTTCCAGCCTCCCGGCGTGTGGCCTGCCAACCCGGCTCCCATT
ACCCAGACAGTCATCCACACAGTGCAGAGCGCCCCTGGACAGATGTTCTCTACTCCCGCC
ATCCCACCTATGATGTACCCCCACCCCGCCTATCCGATGCCTTTCATCACCACCATTCTG
GGAGGGCTGTACCCATCCAAGTCCATCCTCCTGTCAGGCACTGTCCTGCCCAGTGCTCAG
AGGTTCCACATCAACCTGTGCTCTGGGAACCACATCGCCTTCCACCTGAACCTCCGTTTT
GATGAGAATGCTGTGGTCCGCAACACCCAGATCGACAACTCCTGGGGGTCTGAGGAGCGA
AGTCTGCCCCGAAAAATGCCCTTCGTCCGTGGCCAGAGCTTCTCAGTGTGGATCTTGTGT
GGAGCTCACTGCCTCAAGGTGGCCGTGGATGGTCAGCACCTGTTTGAATACTACCATCGC
CTGAGGAACCTGCCCACCATCAACAGACTGGAAGTGGGGGGCGACATCCAGCTGACCCAT
GTGCAGACATAG
PF00337
Gal-bind_lectin
function
binding
function
carbohydrate binding
function
sugar binding
"
|
| owl:sameAs |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object