Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02036"
| Predicate | Value (sorted: none) |
|---|---|
| rdf:type | |
| owl:sameAs | |
| ns1:description |
"
experimental
This compound belongs to the benzothiazines. These are organic compounds containing a benzene fused to a thiazine ring (a six-member ring with four carbon atoms, one nitrogen atom and one sulfur atom).
Benzothiazines
Organic Compounds
Heterocyclic Compounds
Benzothiazines
1,4-Thiazines
Benzene and Substituted Derivatives
Hydroxamic Acids
Secondary Carboxylic Acid Amides
Carboxylic Acids
Enolates
Polyamines
Thioethers
para-thiazine
benzene
secondary carboxylic acid amide
hydroxamic acid
carboxamide group
thioether
enolate
polyamine
carboxylic acid derivative
carboxylic acid
amine
organonitrogen compound
logP
0.53
ALOGPS
logS
-2.6
ALOGPS
Water Solubility
6.23e-01 g/l
ALOGPS
logP
0.35
ChemAxon
IUPAC Name
N-hydroxy-2-[(2R)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetamide
ChemAxon
Traditional IUPAC Name
N-hydroxy-2-[(2R)-3-oxo-2,4-dihydro-1,4-benzothiazin-2-yl]acetamide
ChemAxon
Molecular Weight
238.263
ChemAxon
Monoisotopic Weight
238.041212886
ChemAxon
SMILES
[H][C@]1(CC(=O)NO)SC2=CC=CC=C2NC1=O
ChemAxon
Molecular Formula
C10H10N2O3S
ChemAxon
InChI
InChI=1S/C10H10N2O3S/c13-9(12-15)5-8-10(14)11-6-3-1-2-4-7(6)16-8/h1-4,8,15H,5H2,(H,11,14)(H,12,13)/t8-/m1/s1
ChemAxon
InChIKey
InChIKey=UKDWCJNGBPZOBU-MRVPVSSYSA-N
ChemAxon
Polar Surface Area (PSA)
78.43
ChemAxon
Refractivity
61.38
ChemAxon
Polarizability
22.66
ChemAxon
Rotatable Bond Count
2
ChemAxon
H Bond Acceptor Count
3
ChemAxon
H Bond Donor Count
3
ChemAxon
pKa (strongest acidic)
8.89
ChemAxon
pKa (strongest basic)
-5.5
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
2
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
PubChem Compound
448475
PubChem Substance
46508836
ChemSpider
395263
PDB
GNR
BE0001486
Peptide deformylase
Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228)
# 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
# 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
Peptide deformylase
Translation, ribosomal structure and biogenesis
Removes the formyl group from the N-terminal Met of newly synthesized proteins. Requires at least a dipeptide for an efficient rate of reaction. N-terminal L-methionine is a prerequisite for activity but the enzyme has broad specificity at other positions
def
Cytoplasmic
None
4.73
19365.0
Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228)
GenBank Gene Database
AE004091
GenBank Protein Database
9945838
UniProtKB
Q9I7A8
UniProt Accession
DEF_PSEAE
EC 3.5.1.88
PDF
Polypeptide deformylase
>Peptide deformylase
MAILNILEFPDPRLRTIAKPVEVVDDAVRQLIDDMFETMYEAPGIGLAATQVNVHKRIVV
MDLSEDKSEPRVFINPEFEPLTEDMDQYQEGCLSVPGFYENVDRPQKVRIKALDRDGNPF
EEVAEGLLAVCIQHECDHLNGKLFVDYLSTLKRDRIRKKLEKQHRQQA
>507 bp
TCACGCCTGCTGTCGATGCTGCTTTTCCAGCTTCTTGCGGATGCGGTCGCGCTTGAGGGT
GGACAGGTAGTCGACGAACAGCTTGCCGTTGAGGTGGTCGCATTCGTGCTGGATGCATAC
CGCCAGCAGGCCTTCGGCGACTTCCTCGAAGGGGTTGCCATCGCGGTCGAGGGCCTTGAT
CCGGACCTTCTGCGGTCGGTCCACGTTCTCGTAGAAGCCGGGTACCGACAGGCAGCCTTC
CTGGTACTGGTCCATATCCTCGGTCAGCGGTTCGAACTCGGGGTTGATGAATACCCTCGG
CTCGGACTTGTCTTCGCTGAGGTCCATGACCACGATGCGCTTGTGCACGTTCACCTGGGT
CGCGGCGAGGCCGATGCCCGGGGCTTCGTACATGGTTTCGAACATGTCGTCGATCAGCTG
GCGCACCGCGTCGTCGACCACCTCCACCGGTTTGGCGATGGTCCGCAGGCGCGGATCGGG
GAATTCGAGAATGTTCAGGATGGCCAT
PF01327
Pep_deformylase
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
ion binding
function
cation binding
function
transition metal ion binding
function
binding
function
iron ion binding
function
catalytic activity
function
peptide deformylase activity
function
hydrolase activity
process
macromolecule metabolism
process
physiological process
process
macromolecule biosynthesis
process
protein biosynthesis
process
metabolism
"
|
| rdfs:label |
"2-(3,4-Dihydro-3-Oxo-2h-Benzo[B][1,4]Thiazin-2-Yl)-N-Hydroxyacetamide"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines/drugbank_small.nt
The resource does not appear as an object