Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB07861"
| Predicate | Value (sorted: none) |
|---|---|
| ns1:description |
"
experimental
This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.
Alpha Amino Acid Amides
Organic Compounds
Organic Acids and Derivatives
Carboxylic Acids and Derivatives
Amino Acids, Peptides, and Analogues
Amphetamines and Derivatives
Benzenesulfonamides
Naphthalenes
Sulfonyls
Sulfonamides
Hydroxamic Acids
Enolates
Polyamines
acene
amphetamine or derivative
naphthalene
benzenesulfonamide
benzene
sulfonic acid derivative
sulfonyl
sulfonamide
carboxamide group
hydroxamic acid
polyamine
enolate
amine
organonitrogen compound
logP
3.14
ALOGPS
logS
-6
ALOGPS
Water Solubility
4.31e-04 g/l
ALOGPS
logP
3.67
ChemAxon
IUPAC Name
(2R)-N-hydroxy-3-(naphthalen-2-yl)-2-(naphthalene-2-sulfonamido)propanamide
ChemAxon
Traditional IUPAC Name
(2R)-N-hydroxy-3-(naphthalen-2-yl)-2-(naphthalene-2-sulfonamido)propanamide
ChemAxon
Molecular Weight
420.481
ChemAxon
Monoisotopic Weight
420.114377828
ChemAxon
SMILES
[H][C@](CC1=CC2=C(C=CC=C2)C=C1)(NS(=O)(=O)C1=CC2=C(C=CC=C2)C=C1)C(=O)NO
ChemAxon
Molecular Formula
C23H20N2O4S
ChemAxon
InChI
InChI=1S/C23H20N2O4S/c26-23(24-27)22(14-16-9-10-17-5-1-3-7-19(17)13-16)25-30(28,29)21-12-11-18-6-2-4-8-20(18)15-21/h1-13,15,22,25,27H,14H2,(H,24,26)/t22-/m1/s1
ChemAxon
InChIKey
InChIKey=MMOUXLMPQFMDRD-JOCHJYFZSA-N
ChemAxon
Polar Surface Area (PSA)
95.5
ChemAxon
Refractivity
114.8
ChemAxon
Polarizability
43.4
ChemAxon
Rotatable Bond Count
5
ChemAxon
H Bond Acceptor Count
4
ChemAxon
H Bond Donor Count
3
ChemAxon
pKa (strongest acidic)
8.69
ChemAxon
pKa (strongest basic)
-5.5
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
4
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
PubChem Compound
9823454
PubChem Substance
99444332
ChemSpider
7999201
PDB
GVR
BE0004110
UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase
Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228)
# 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
UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase
Cell wall/membrane/envelope biogenesis
Involved in the biosynthesis of lipid A, a phosphorylated glycolipid that anchors the lipopolysaccharide to the outer membrane of the cell
lpxC
Cytoplasmic
None
5.0
33434.8
Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228)
GeneCards
lpxC
GenBank Gene Database
U19797
GenBank Protein Database
6715617
UniProtKB
P47205
UniProt Accession
LPXC_PSEAE
Protein envA
UDP-3-O-acyl-GlcNAc deacetylase
>UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase
MIKQRTLKNIIRATGVGLHSGEKVYLTLKPAPVDTGIVFCRTDLDPVVEIPARAENVGET
TMSTTLVKGDVKVDTVEHLLSAMAGLGIDNAYVELSASEVPIMDGSAGPFVFLIQSAGLQ
EQEAAKKFIRIKREVSVEEGDKRAVFVPFDGFKVSFEIDFDHPVFRGRTQQASVDFSSTS
FVKEVSRARTFGFMRDIEYLRSQNLALGGSVENAIVVDENRVLNEDGLRYEDEFVKHKIL
DAIGDLYLLGNSLIGEFRGFKSGHALNNQLLRTLIADKDAWEVVTFEDARTAPISYMRPA
AAV
>960 bp
ATGAACCTTTGCCTCGATAGCCTGCTGAACGGCACCCAGGATCCCAAGGCGTTCGGCCGT
GTCGCCGTGCTGTTCGGCGGCAAGAGCGCCGAGCGCGAGGTGTCGCTGAAGTCCGGCGCG
ATGGTCCTGCAATCCCTGCTGGCCGCCGGGGTCGATGCCTTCGGCATCGATGTCGGCGAA
GACCTGCTGCAACGCCTGGTCGAGGAGAAGATCGACCGTGCCTTCATCATTCTCCACGGT
CGTGGCGGCGAGGATGGCAGCATGCAGGGCCTGCTCGAGTGCGCGGGCATTCCCTACACC
GGCAGCGGCGTGCTGGCCTCGGCGCTGGCGATGGACAAGCTGCGGACCAAGCGGGTCTGG
CTCAGCCTCGGCCTGCCGACCCCGGACTACGCGGTGCTGGCCAGCGAGGATGACTGCCGC
GAAGCGGCGCAGCGACTGGGTTTCCCGCTGATCGTCAAGCCGGCTCACGAAGGCTCGAGC
ATCGGCATGGCCAAGGTCGGCGGGCTCGACGAATTGATCGCGGCGTGGCGCGAAGCGGCC
CGCTACGACTCGCAGGTGCTGGTCGAGCAGTGGATCAGCGGCCCGGAATTCACCGTGGCG
ACCTTGCGCGGGCAGGTGCTGCCGGCGATCCGCCTGGGCACGCCGCACACCTTCTACGAC
TACGACGCCAAGTACCTGGCCAGCGATACCCGCTACCAGGTGCCCTGCGGTCTCGACGAG
GCCAAGGAACGCGAGCTGAAGGAACTCACCGCGCGCGCCTGCGACGCCCTGGGCATCCAG
GGCTGGGGGCGGGCGGACGTGATGCAGGACGCCGAAGGGCGTTTCTGGCTGCTTGAAGTC
AACACCGCACCGGGCATGACCGACCACAGCCTGGTGCCTATGGCCGCGCGGGCCGCCGGC
CTGGATTTCCAGCAACTGGTGCTGGCGATCCTGGCCGATAGCCGCGAGGCGAGGGGATAA
PF03331
LpxC
function
hydrolase activity
function
hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds
function
hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds, in linear amides
function
UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase activity
function
catalytic activity
process
metabolism
process
primary metabolism
process
lipid metabolism
process
cellular lipid metabolism
process
lipid A metabolism
process
physiological process
process
lipid A biosynthesis
"
|
| rdfs:label |
"(2R)-N-hydroxy-3-naphthalen-2-yl-2-[(naphthalen-2-ylsulfonyl)amino]propanamide"
|
| rdf:type |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines/drugbank_small.nt
The resource does not appear as an object