Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB01983"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"2(S)-Amino-6-Boronohexanoic Acid"
|
| rdf:type | |
| drugbank:description |
"
experimental
This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
Alpha Amino Acids and Derivatives
Organic Compounds
Organic Acids and Derivatives
Carboxylic Acids and Derivatives
Amino Acids, Peptides, and Analogues
Amino Fatty Acids
Boronic Acids
Polyols
Carboxylic Acids
Enolates
Polyamines
Organoboron Compounds
Monoalkylamines
boronic acid
boronic acid derivative
polyol
carboxylic acid
polyamine
enolate
amine
primary amine
organic metalloid moeity
primary aliphatic amine
organonitrogen compound
organoboron compound
logP
-2.9
ALOGPS
logS
-1.9
ALOGPS
Water Solubility
2.83e+00 g/l
ALOGPS
logP
-5
ChemAxon
IUPAC Name
[(5S)-5-amino-5-carboxypentyl]trihydroxyboranuide
ChemAxon
Traditional IUPAC Name
[(5S)-5-amino-5-carboxypentyl]trihydroxyboranuide
ChemAxon
Molecular Weight
191.998
ChemAxon
Monoisotopic Weight
192.104328061
ChemAxon
SMILES
N[C@@H](CCCC[B-](O)(O)O)C(O)=O
ChemAxon
Molecular Formula
C6H15BNO5
ChemAxon
InChI
InChI=1S/C6H15BNO5/c8-5(6(9)10)3-1-2-4-7(11,12)13/h5,11-13H,1-4,8H2,(H,9,10)/q-1/t5-/m0/s1
ChemAxon
InChIKey
InChIKey=BLVGFZFOWWBCCZ-YFKPBYRVSA-N
ChemAxon
Polar Surface Area (PSA)
124.01
ChemAxon
Refractivity
40.88
ChemAxon
Polarizability
19.64
ChemAxon
Rotatable Bond Count
6
ChemAxon
H Bond Acceptor Count
6
ChemAxon
H Bond Donor Count
5
ChemAxon
pKa (strongest acidic)
1.9
ChemAxon
pKa (strongest basic)
9.53
ChemAxon
Physiological Charge
-1
ChemAxon
Number of Rings
0
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
ChEBI
40520
PubChem Compound
444965
PubChem Substance
46506382
ChemSpider
1429
PDB
ABH
BE0000286
Arginase-1
Human
# 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
Arginase-1
Amino acid transport and metabolism
ARG1
6q23
Cytoplasm
None
7.25
34735.0
Human
HUGO Gene Nomenclature Committee (HGNC)
HGNC:663
GenAtlas
ARG1
GeneCards
ARG1
GenBank Gene Database
M14502
GenBank Protein Database
178995
UniProtKB
P05089
UniProt Accession
ARGI1_HUMAN
EC 3.5.3.1
Liver-type arginase
Type I arginase
>Arginase-1
MSAKSRTIGIIGAPFSKGQPRGGVEEGPTVLRKAGLLEKLKEQECDVKDYGDLPFADIPN
DSPFQIVKNPRSVGKASEQLAGKVAEVKKNGRISLVLGGDHSLAIGSISGHARVHPDLGV
IWVDAHTDINTPLTTTSGNLHGQPVSFLLKELKGKIPDVPGFSWVTPCISAKDIVYIGLR
DVDPGEHYILKTLGIKYFSMTEVDRLGIGKVMEETLSYLLGRKKRPIHLSFDVDGLDPSF
TPATGTPVVGGLTYREGLYITEEIYKTGLLSGLDIMEVNPSLGKTPEEVTRTVNTAVAIT
LACFGLAREGNHKPIDYLNPPK
>969 bp
ATGAGCGCCAAGTCCAGAACCATAGGGATTATTGGAGCTCCTTTCTCAAAGGGACAGCCA
CGAGGAGGGGTGGAAGAAGGCCCTACAGTATTGAGAAAGGCTGGTCTGCTTGAGAAACTT
AAAGAACAAGAGTGTGATGTGAAGGATTATGGGGACCTGCCCTTTGCTGACATCCCTAAT
GACAGTCCCTTTCAAATTGTGAAGAATCCAAGGTCTGTGGGAAAAGCAAGCGAGCAGCTG
GCTGGCAAGGTGGCACAAGTCAAGAAGAACGGAAGAATCAGCCTGGTGCTGGGCGGAGAC
CACAGTTTGGCAATTGGAAGCATCTCTGGCCATGCCAGGGTCCACCCTGATCTTGGAGTC
ATCTGGGTGGATGCTCACACTGATATCAACACTCCACTGACAACCACAAGTGGAAACTTG
CATGGACAACCTGTATCTTTCCTCCTGAAGGAACTAAAAGGAAAGATTCCCGATGTGCCA
GGATTCTCCTGGGTGACTCCCTGTATATCTGCCAAGGATATTGTGTATATTGGCTTGAGA
GACGTGGACCCTGGGGAACACTACATTTTGAAAACTCTAGGCATTAAATACTTTTCAATG
ACTGAAGTGGACAGACTAGGAATTGGCAAGGTGATGGAAGAAACACTCAGCTATCTACTA
GGAAGAAAGAAAAGGCCAATTCATCTAAGTTTTGATGTTGACGGACTGGACCCATCTTTC
ACACCAGCTACTGGCACACCAGTCGTGGGAGGTCTGACATACAGAGAAGGTCTCTACATC
ACAGAAGAAATCTACAAAACAGGGCTACTCTCAGGATTAGATATAATGGAAGTGAACCCA
TCCCTGGGGAAGACACCAGAAGAAGTAACTCGAACAGTGAACACAGCAGTTGCAATAACC
TTGGCTTGTTTCGGACTTGCTCGGGAGGGTAATCACAAGCCTATTGACTACCTTAACCCA
CCTAAGTAA
PF00491
Arginase
function
hydrolase activity
function
hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds
function
hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds, in linear amidines
function
arginase activity
function
catalytic activity
process
metabolism
process
urea cycle intermediate metabolism
process
arginine metabolism
process
arginine catabolism
process
physiological process
"
|
| 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