Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB04123"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"(P-Iodophenylacetylamino)Methylphosphinic Acid"
|
| rdf:type | |
| ns1:description |
"
experimental
This compound belongs to the iodobenzenes. These are aromatic compounds containing one or more iodine atoms attached to a benzene.
Iodobenzenes
Organic Compounds
Benzenoids
Benzene and Substituted Derivatives
Halobenzenes
Aryl Iodides
Secondary Carboxylic Acid Amides
Polyamines
Carboxylic Acids
Enolates
Organoiodides
aryl halide
aryl iodide
secondary carboxylic acid amide
carboxamide group
polyamine
carboxylic acid
enolate
carboxylic acid derivative
amine
organohalogen
organoiodide
organonitrogen compound
logP
1.55
ALOGPS
logS
-3.5
ALOGPS
Water Solubility
9.48e-02 g/l
ALOGPS
logP
1.28
ChemAxon
IUPAC Name
{[2-(4-iodophenyl)acetamido]methyl}phosphinic acid
ChemAxon
Traditional IUPAC Name
[2-(4-iodophenyl)acetamido]methylphosphinic acid
ChemAxon
Molecular Weight
339.0668
ChemAxon
Monoisotopic Weight
338.952123155
ChemAxon
SMILES
[H][P@](O)(=O)CNC(=O)CC1=CC=C(I)C=C1
ChemAxon
Molecular Formula
C9H11INO3P
ChemAxon
InChI
InChI=1S/C9H11INO3P/c10-8-3-1-7(2-4-8)5-9(12)11-6-15(13)14/h1-4,15H,5-6H2,(H,11,12)(H,13,14)
ChemAxon
InChIKey
InChIKey=NJMHQBSYSLWOQF-UHFFFAOYSA-N
ChemAxon
Polar Surface Area (PSA)
66.4
ChemAxon
Refractivity
66.18
ChemAxon
Polarizability
25.54
ChemAxon
Rotatable Bond Count
4
ChemAxon
H Bond Acceptor Count
3
ChemAxon
H Bond Donor Count
2
ChemAxon
pKa (strongest acidic)
1.93
ChemAxon
pKa (strongest basic)
-2.8
ChemAxon
Physiological Charge
-1
ChemAxon
Number of Rings
1
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
PubChem Compound
1290
PubChem Substance
46505432
ChemSpider
16744064
PDB
IPP
BE0001430
Beta-lactamase
Enterobacter cloacae
# 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
Beta-lactamase
Defense mechanisms and antibiotic degradation
This protein is a serine beta-lactamase with a substrate specificity for cephalosporins
ampC
Periplasm
None
8.67
41302.0
Enterobacter cloacae
GenBank Gene Database
X07274
GenBank Protein Database
42261
UniProtKB
P05364
UniProt Accession
AMPC_ENTCL
Beta-lactamase precursor
Cephalosporinase
EC 3.5.2.6
>Beta-lactamase precursor
MMRKSLCCALLLGISCSALATPVSEKQLAEVVANTITPLMKAQSVPGMAVAVIYQGKPHY
YTFGKADIAANKPVTPQTLFELGSISKTFTGVLGGDAIARGEISLDDAVTRYWPQLTGKQ
WQGIRMLDLATYTAGGLPLQVPDEVTDNASLLRFYQNWQPQWKPGTTRLYANASIGLFGA
LAVKPSGMPYEQAMTTRVLKPLKLDHTWINVPKAEEAHYAWGYRDGKAVRVSPGMLDAQA
YGVKTNVQDMANWVMANMAPENVADASLKQGIALAQSRYWRIGSMYQGLGWEMLNWPVEA
NTVVEGSDSKVALAPLPVAEVNPPAPPVKASWVHKTGSTGGFGSYVAFIPEKQIGIVMLA
NTSYPNPARVEAAYHILEALQ
>1146 bp
ATGATGAGAAAATCCCTTTGCTGCGCCCTGCTGCTCGGCATCTCTTGCTCTGCTCTCGCC
ACGCCAGTGTCAGAAAAACAGCTGGCGGAGGTGGTCGCGAATACGATTACCCCGCTGATG
AAAGCCCAGTCTGTTCCAGGCATGGCGGTGGCCGTTATTTATCAGGGAAAACCGCACTAT
TACACATTTGGCAAGGCCGATATCGCGGCGAATAAACCCGTTACGCCTCAGACCCTGTTC
GAGCTGGGTTCTATAAGTAAAACCTTCACCGGCGTTTTAGGTGGGGATGCCATTGCTCGC
GGTGAAATTTCGCTGGACGATGCGGTGACCAGATACTGGCCACAGCTGACGGGCAAGCAG
TGGCAGGGTATTCGTATGCTGGATCTCGCCACCTACACCGCTGGCGGCCTGCCGCTACAG
GTACCGGATGAGGTCACGGATAACGCCTCCCTGCTGCGCTTTTATCAAAACTGGCAGCCG
CAGTGGAAGCCTGGCACAACGCGTCTTTACGCCAACGCCAGCATCGGTCTTTTTGGTGCG
CTGGCGGTCAAACCTTCTGGCATGCCCTATGAGCAGGCCATGACGACGCGGGTCCTTAAG
CCGCTCAAGCTGGACCATACCTGGATTAACGTGCCGAAAGCGGAAGAGGCGCATTACGCC
TGGGGCTATCGTGACGGTAAAGCGGTGCGCGTTTCGCCGGGTATGCTGGATGCACAAGCC
TATGGCGTGAAAACCAACGTGCAGGATATGGCGAACTGGGTCATGGCAAACATGGCGCCG
GAGAACGTTGCTGATGCCTCACTTAAGCAGGGCATCGCGCTGGCGCAGTCGCGCTACTGG
CGTATCGGGTCAATGTATCAGGGTCTGGGCTGGGAGATGCTCAACTGGCCCGTGGAGGCC
AACACGGTGGTCGAGGGCAGCGACAGTAAGGTAGCACTGGCGCCGTTGCCCGTGGCAGAA
GTGAATCCACCGGCTCCCCCGGTCAAAGCGTCCTGGGTCCATAAAACGGGCTCTACTGGC
GGGTTTGGCAGCTACGTGGCCTTTATTCCTGAAAAGCAGATCGGTATTGTGATGCTCGCG
AATACAAGCTATCCGAACCCGGCACGCGTTGAGGCGGCATACCATATCCTCGAGGCGCTA
CAGTAA
PF00144
Beta-lactamase
component
cell
component
periplasmic space
component
periplasmic space (sensu Gram-negative Bacteria)
function
hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds, in cyclic amides
function
beta-lactamase activity
function
hydrolase activity
function
hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds
function
catalytic activity
process
metabolism
process
cellular metabolism
process
drug metabolism
process
antibiotic metabolism
process
antibiotic catabolism
process
response to stimulus
process
response to abiotic stimulus
process
response to chemical stimulus
process
response to drug
process
physiological process
process
response to antibiotic
"
|
| owl:sameAs |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines/drugbank_small.nt
The resource does not appear as an object