Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB01980"
| Predicate | Value (sorted: none) |
|---|---|
| drugbank: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
Phenylpropylamines
Iodobenzenes
Aryl Iodides
Hydroxamic Acids
Polyamines
Enolates
Organoiodides
Monoalkylamines
amphetamine or derivative
phenylpropylamine
iodobenzene
aryl iodide
aryl halide
benzene
carboxamide group
hydroxamic acid
polyamine
enolate
primary amine
amine
organohalogen
primary aliphatic amine
organoiodide
organonitrogen compound
logP
1.17
ALOGPS
logS
-3.1
ALOGPS
Water Solubility
2.56e-01 g/l
ALOGPS
logP
0.95
ChemAxon
IUPAC Name
(2R)-2-amino-N-hydroxy-3-(4-iodophenyl)propanamide
ChemAxon
Traditional IUPAC Name
(2R)-2-amino-N-hydroxy-3-(4-iodophenyl)propanamide
ChemAxon
Molecular Weight
306.1003
ChemAxon
Monoisotopic Weight
305.986521026
ChemAxon
SMILES
[H][C@@](N)(CC1=CC=C(I)C=C1)C(=O)NO
ChemAxon
Molecular Formula
C9H11IN2O2
ChemAxon
InChI
InChI=1S/C9H11IN2O2/c10-7-3-1-6(2-4-7)5-8(11)9(13)12-14/h1-4,8,14H,5,11H2,(H,12,13)/t8-/m1/s1
ChemAxon
InChIKey
InChIKey=AJEPKWPHKPETBM-MRVPVSSYSA-N
ChemAxon
Polar Surface Area (PSA)
75.35
ChemAxon
Refractivity
62.07
ChemAxon
Polarizability
24.22
ChemAxon
Rotatable Bond Count
3
ChemAxon
H Bond Acceptor Count
3
ChemAxon
H Bond Donor Count
3
ChemAxon
pKa (strongest acidic)
8.8
ChemAxon
pKa (strongest basic)
7.56
ChemAxon
Physiological Charge
1
ChemAxon
Number of Rings
1
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
PubChem Compound
5288643
PubChem Substance
46507696
ChemSpider
4450764
PDB
IPO
BE0001395
Bacterial leucyl aminopeptidase
Vibrio proteolyticus
# 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
Bacterial leucyl aminopeptidase
Involved in peptidase activity
Release of an N-terminal amino acid, preferentially leucine, but not glutamic or aspartic acids
Secreted protein
None
4.49
54232.0
Vibrio proteolyticus
GenBank Gene Database
Z11993
GenBank Protein Database
48474
UniProtKB
Q01693
UniProt Accession
AMPX_VIBPR
Bacterial leucyl aminopeptidase precursor
EC 3.4.11.10
>Bacterial leucyl aminopeptidase precursor
MKYTKTLLAMVLSATFCQAYAEDKVWISIGADANQTVMKSGAESILPNSVASSGQVWVGQ
VDVAQLAELSHNMHEEHNRCGGYMVHPSAQSAMAASAMPTTLASFVMPPITQQATVTAWL
PQVDASQITGTISSLESFTNRFYTTTSGAQASDWIASEWQALSASLPNASVKQVSHSGYN
QKSVVMTITGSEAPDEWIVIGGHLDSTIGSHTNEQSVAPGADDDASGIAAVTEVIRVLSE
NNFQPKRSIAFMAYAAEEVGLRGSQDLANQYKSEGKNVVSALQLDMTNYKGSAQDVVFIT
DYTDSNFTQYLTQLMDEYLPSLTYGFDTCGYACSDHASWHNAGYPAAMPFESKFNDYNPR
IHTTQDTLANSDPTGSHAKKFTQLGLAYAIEMGSATGDTPTPGNQLEDGVPVTDLSGSRG
SNVWYTFELETQKNLQITTSGGYGDLDLYVKFGSKASKQNWDCRPYLSGNNEVCTFNNAS
PGTYSVMLTGYSNYSGASLKASTF
>1515 bp
ATGAAATATACCAAAACGTTACTGGCTATGGTTCTTTCCGCCACTTTTTGTCAGGCTTAC
GCCGAAGACAAAGTGTGGATCTCAATTGGTGCGGACGCCAATCAAACGGTGATGAAGTCC
GGGGCAGAATCCATTCTTCCGAATTCCGTCGCCAGCAGTGGTCAGGTGTGGGTTGGACAA
GTCGATGTCGCTCAGCTCGCTGAGCTTTCGCATAATATGCACGAAGAGCATAATCGCTGT
GGTGGGTACATGGTACACCCTTCAGCGCAAAGTGCGATGGCGGCAAGTGCGATGCCCACT
ACGCTAGCCAGCTTCGTGATGCCGCCGATTACACAGCAGGCGACCGTCACAGCGTGGCTG
CCTCAGGTTGACGCGTCACAAATCACCGGGACCATCAGTTCGCTGGAGAGCTTCACCAAC
CGTTTTTACACCACCACTTCTGGAGCTCAGGCCTCGGACTGGATAGCCAGCGAATGGCAG
GCTCTGTCAGCCTCTCTGCCCAATGCCAGCGTCAAGCAAGTGTCTCACTCAGGCTACAAC
CAAAAGTCGGTCGTTATGACCATTACAGGCTCAGAAGCGCCTGACGAGTGGATTGTGATT
GGTGGTCACCTTGATTCGACCATTGGTTCACACACCAACGAACAAAGTGTTGCACCGGGT
GCGGATGATGATGCTTCGGGTATCGCAGCCGTCACTGAAGTGATCCGTGTGCTGTCAGAG
AACAACTTCCAACCAAAACGTAGCATTGCCTTCATGGCTTATGCCGCTGAGGAAGTCGGC
TTGCGTGGTTCACAAGATCTGGCGAATCAGTATAAATCCGAAGGTAAAAACGTGGTTTCC
GCCCTGCAACTGGACATGACCAACTACAAAGGTTCTGCCCAAGATGTCGTGTTTATCACC
GATTACACTGACAGCAACTTCACTCAATATCTGACGCAGCTAATGGACGAGTATTTGCCG
AGTCTGACTTACGGTTTCGATACTTGCGGGTACGCCTGTTCTGATCACGCATCATGGCAC
AACGCTGGCTACCCCGCCGCCATGCCGTTTGAGTCGAAGTTCAACGATTACAATCCGCGT
ATTCACACCACTCAAGATACGTTGGCGAACTCCGATCCAACCGGCTCTCATGCCAAGAAG
TTCACTCAGTTAGGTCTTGCTTATGCGATTGAAATGGGCAGCGCAACCGGTGACACACCA
ACACCAGGCAATCAGCTGGAAGACGGTGTGCCTGTCACCGATTTGTCTGGTAGCCGAGGC
AGCAACGTATGGTATACGTTTGAACTGGAAACCCAGAAAAACCTGCAAATCACCACCTCT
GGTGGCTATGGTGATCTGGACTTGTATGTGAAGTTTGGCAGTAAAGCCAGCAAACAGAAC
TGGGATTGCCGCCCATATCTCAGTGGGAACAACGAAGTCTGTACGTTCAACAATGCTTCA
CCAGGCACCTACTCCGTCATGCTGACAGGGTACTCCAACTACAGCGGAGCCAGCCTGAAA
GCCAGCACTTTCTGA
PF04389
Peptidase_M28
PF04151
PPC
function
hydrolase activity
function
peptidase activity
function
catalytic activity
process
metabolism
process
macromolecule metabolism
process
protein metabolism
process
cellular protein metabolism
process
proteolysis
process
physiological process
"
|
| rdfs:label |
"Para-Iodo-D-Phenylalanine Hydroxamic Acid"
|
| rdf:type | |
| owl:sameAs |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object