Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02276"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"(S)-2-(Phosphonoxy)Caproyl-L-Leucyl-P-Nitroanilide"
|
| rdf:type | |
| ns1:description |
"
experimental
This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom.
N-acyl-alpha Amino Acids and Derivatives
Organic Compounds
Organic Acids and Derivatives
Carboxylic Acids and Derivatives
Amino Acids, Peptides, and Analogues
Alpha Amino Acid Amides
N-acyl Amines
Anilides
Nitrobenzenes
Phosphoethanolamines
Organic Phosphoric Acids
Secondary Carboxylic Acid Amides
Nitro Compounds
Nitronic Acids
Enolates
Carboxylic Acids
Polyamines
Organic Oxoazanium Compounds
acetanilide
nitrobenzene
phosphoethanolamine
organic phosphate
phosphoric acid ester
benzene
secondary carboxylic acid amide
carboxamide group
nitro compound
nitronic acid
enolate
polyamine
carboxylic acid
organic oxoazanium
organonitrogen compound
amine
logP
1.62
ALOGPS
logS
-4.4
ALOGPS
Water Solubility
1.81e-02 g/l
ALOGPS
logP
2.91
ChemAxon
IUPAC Name
{[(1S)-1-{[(1S)-3-methyl-1-[(4-nitrophenyl)carbamoyl]butyl]carbamoyl}pentyl]oxy}phosphonic acid
ChemAxon
Traditional IUPAC Name
[(1S)-1-{[(1S)-3-methyl-1-[(4-nitrophenyl)carbamoyl]butyl]carbamoyl}pentyl]oxyphosphonic acid
ChemAxon
Molecular Weight
445.404
ChemAxon
Monoisotopic Weight
445.161401399
ChemAxon
SMILES
[H][C@@](CC(C)C)(NC(=O)[C@]([H])(CCCC)OP(O)(O)=O)C(=O)NC1=CC=C(C=C1)[N+]([O-])=O
ChemAxon
Molecular Formula
C18H28N3O8P
ChemAxon
InChI
InChI=1S/C18H28N3O8P/c1-4-5-6-16(29-30(26,27)28)18(23)20-15(11-12(2)3)17(22)19-13-7-9-14(10-8-13)21(24)25/h7-10,12,15-16H,4-6,11H2,1-3H3,(H,19,22)(H,20,23)(H2,26,27,28)/t15-,16-/m0/s1
ChemAxon
InChIKey
InChIKey=HARXAJAHMRMERT-HOTGVXAUSA-N
ChemAxon
Polar Surface Area (PSA)
170.78
ChemAxon
Refractivity
110.01
ChemAxon
Polarizability
43.3
ChemAxon
Rotatable Bond Count
12
ChemAxon
H Bond Acceptor Count
7
ChemAxon
H Bond Donor Count
4
ChemAxon
pKa (strongest acidic)
1.42
ChemAxon
pKa (strongest basic)
-5.4
ChemAxon
Physiological Charge
-2
ChemAxon
Number of Rings
1
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
PubChem Compound
17754079
PubChem Substance
46509038
ChemSpider
16744106
PDB
MLN
BE0001475
Peptide deformylase
Escherichia coli (strain K12)
# 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
5.0
19329.0
Escherichia coli (strain K12)
GenBank Gene Database
X77800
GenBank Protein Database
471304
UniProtKB
P0A6K3
UniProt Accession
DEF_ECOLI
EC 3.5.1.88
PDF
Polypeptide deformylase
>Peptide deformylase
MSVLQVLHIPDERLRKVAKPVEEVNAEIQRIVDDMFETMYAEEGIGLAATQVDIHQRIIV
IDVSENRDERLVLINPELLEKSGETGIEEGCLSIPEQRALVPRAEKVKIRALDRDGKPFE
LEADGLLAICIQHEMDHLVGKLFMDYLSPLKQQRIRQKVEKLDRLKARA
>510 bp
ATGTCAGTTTTGCAAGTGTTACATATTCCGGACGAGCGGCTTCGCAAAGTTGCTAAACCG
GTAGAAGAAGTGAATGCAGAAATTCAGCGTATCGTCGATGATATGTTCGAGACGATGTAC
GCAGAAGAAGGTATTGGCCTGGCGGCAACCCAGGTTGATATCCATCAACGTATCATTGTT
ATTGATGTTTCGGAAAACCGTGACGAACGGCTAGTGTTAATCAATCCAGAGCTTTTAGAA
AAAAGCGGCGAAACAGGCATTGAAGAAGGTTGCCTGTCGATCCCTGAACAACGTGCTTTA
GTGCCGCGCGCAGAGAAAGTTAAAATTCGCGCCCTTGACCGCGACGGTAAACCATTTGAA
CTGGAAGCAGACGGTCTGTTAGCCATCTGTATTCAGCATGAGATGGATCACCTGGTCGGC
AAACTGTTTATGGATTATCTGTCACCGCTGAAACAACAACGTATTCGTCAGAAAGTTGAA
AAACTGGATCGTCTGAAAGCCCGGGCTTAA
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
"
|
| 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