Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02766"
| Predicate | Value (sorted: none) |
|---|---|
| drugbank:description |
"
experimental
This compound belongs to the amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.
Amphetamines and Derivatives
Organic Compounds
Benzenoids
Benzene and Substituted Derivatives
Phenethylamines
Benzyloxycarbonyls
Benzylethers
Ketones
Carbamic Acids and Derivatives
Enolates
Ethers
Polyamines
carbamic acid derivative
ketone
polyamine
ether
enolate
amine
carbonyl group
organonitrogen compound
logP
3.46
ALOGPS
logS
-4.5
ALOGPS
Water Solubility
1.03e-02 g/l
ALOGPS
logP
3.59
ChemAxon
IUPAC Name
(3S)-3-{[(benzyloxy)carbonyl]amino}-2-oxo-4-phenylbutane-1-diazonium
ChemAxon
Traditional IUPAC Name
(3S)-3-{[(benzyloxy)carbonyl]amino}-2-oxo-4-phenylbutane-1-diazonium
ChemAxon
Molecular Weight
324.3538
ChemAxon
Monoisotopic Weight
324.134816457
ChemAxon
SMILES
[H][C@@](CC1=CC=CC=C1)(NC(=O)OCC1=CC=CC=C1)C(=O)C[N+]#N
ChemAxon
Molecular Formula
C18H18N3O3
ChemAxon
InChI
InChI=1S/C18H17N3O3/c19-20-12-17(22)16(11-14-7-3-1-4-8-14)21-18(23)24-13-15-9-5-2-6-10-15/h1-10,16H,11-13H2/p+1/t16-/m0/s1
ChemAxon
InChIKey
InChIKey=VLIGBVLLNSWVMI-INIZCTEOSA-O
ChemAxon
Polar Surface Area (PSA)
83.55
ChemAxon
Refractivity
109.71
ChemAxon
Polarizability
34
ChemAxon
Rotatable Bond Count
8
ChemAxon
H Bond Acceptor Count
3
ChemAxon
H Bond Donor Count
1
ChemAxon
pKa (strongest acidic)
7.73
ChemAxon
pKa (strongest basic)
-9
ChemAxon
Physiological Charge
1
ChemAxon
Number of Rings
2
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
PubChem Compound
17754225
PubChem Substance
46508107
ChemSpider
16744264
PDB
ZFB
BE0002024
Streptopain
Streptococcus pyogenes
# 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
Streptopain
Important streptococcal virulence factor which cleaves human fibronectin and degrades vitronectin. Also cleaves human IL1B precursor to form biologically active IL1B. Can induce apoptosis in human monocytes and epithelial cells in vitro, and reduces phagocytic activity in monocytic cells. Thus, may play a role in bacterial colonization, invasion, and inhibition of wound healing
speB
Secreted protein
None
9.11
43175.0
Streptococcus pyogenes
GenBank Gene Database
M86905
GenBank Protein Database
153819
UniProtKB
P0C0J0
UniProt Accession
SPEB_STRPY
EC 3.4.22.10
Exotoxin type B
SPE B
SPP
Streptococcal cysteine proteinase
Streptococcus peptidase A
>Streptopain precursor
MNKKKLGIRLLSLLALGGFVLANPVFADQNFARNEKEAKDSAITFIQKSAAIKAGARSAE
DIKLDKVNLGGELSGSNMYVYNISTGGFVIVSGDKRSPEILGYSTSGSFDANGKENIASF
MESYVEQIKENKKLDTTYAGTAEIKQPVVKSLLDSKGIHYNQGNPYNLLTPVIEKVKPGE
QSFVGQHAATGCVATATAQIMKYHNYPNKGLKDYTYTLSSNNPYFNHPKNLFAAISTRQY
NWNNILPTYSGRESNVQKMAISELMADVGISVDMDYGPSSGSAGSSRVQRALKENFGYNQ
SVHQINRSDFSKQDWEAQIDKELSQNQPVYYQGVGKVGGHAFVIDGADGRNFYHVNWGWG
GVSDGFFRLDALNPSALGTGGGAGGFNGYQSAVVGIKP
>1197 bp
ATGAATAAAAAGAAATTAGGTATCAGATTATTAAGTCTTTTAGCATTAGGTGGATTTGTT
CTTGCTAACCCAGTATTTGCCGATCAAAACTTTGCTCGTAACGAAAAAGAAGCAAAAGAT
AGCGCTATCACATTTATCCAAAAATCAGCAGCTATCAAAGCAGGTGCACGAAGCGCAGAA
GATATTAAGCTTGACAAAGTTAACTTAGGTGGAGAACTTTCTGGCTCTAATATGTATGTT
TACAATATTTCTACTGGAGGATTTGTTATCGTTTCAGGAGATAAACGTTCTCCAGAAATT
CTAGGATACTCTACCAGCGGATCATTTGACGCTAACGGTAAAGAAAACATTGCTTCCTTC
ATGGAAAGTTATGTCGAACAAATCAAAGAAAACAAAAAATTAGACACTACTTATGCTGGT
ACCGCTGAGATTAAACAACCAGTTGTTAAATCTCTCCTTGATTCAAAAGGCATTCATTAC
AACCAAGGTAACCCTTACAACCTATTGACACCTGTTATTGAAAAAGTAAAACCAGGTGAA
CAATCTTTTGTAGGTCAACATGCAGCTACAGGATGTGTTGCTACTGCAACTGCTCAAATT
ATGAAATATCATAATTACCCTAACAAAGGGTTGAAAGACTACACTTACACACTAAGCTCA
AATAACCCATATTTCAACCATCCTAAGAACTTGTTTGCAGCTATCTCTACTAGACAATAC
AACTGGAACAACATCCTACCTACTTATAGCGGAAGAGAATCTAACGTTCAAAAAATGGCG
ATTTCAGAATTGATGGCTGATGTTGGTATTTCAGTAGACATGGATTATGGTCCATCTAGT
GGTTCTGCAGGTAGCTCTCGTGTTCAAAGAGCCTTGAAAGAAAACTTTGGCTACAACCAA
TCTGTTCACCAAATTAACCGTAGCGACTTTAGCAAACAAGATTGGGAAGCACAAATTGAC
AAAGAATTATCTCAAAACCAACCAGTATACTACCAAGGTGTCGGTAAAGTAGGCGGACAT
GCCTTTGTTATCGATGGTGCTGACGGACGTAACTTCTACCATGTTAACTGGGGTTGGGGT
GGAGTCTCTGACGGCTTCTTCCGTCTTGACGCACTAAACCCTTCAGCTCTTGGTACTGGT
GGCGGCGCAGGCGGCTTCAACGGTTACCAAAGTGCTGTTGTAGGCATCAAACCTTAG
PF01640
Peptidase_C10
function
hydrolase activity
function
peptidase activity
function
cysteine-type peptidase activity
function
catalytic activity
process
metabolism
process
macromolecule metabolism
process
protein metabolism
process
cellular protein metabolism
process
proteolysis
process
physiological process
"
|
| rdf:type | |
| rdfs:label |
"(3r)-3-{[(Benzyloxy)Carbonyl]Amino}-2-Oxo-4-Phenylbutane-1-Diazonium"
|
| owl:sameAs |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines2/drugbank_small.nt
The resource does not appear as an object