Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB01795"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"Phenyl Boronic Acid"
|
| rdf:type | |
| drugbank:description |
"
experimental
This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.
Benzene and Substituted Derivatives
Organic Compounds
Benzenoids
Benzene and Substituted Derivatives
Boronic Acids
Polyamines
Organoboron Compounds
boronic acid derivative
polyamine
organic metalloid moeity
organoboron compound
logP
0.53
ALOGPS
logS
-1.1
ALOGPS
Water Solubility
1.01e+01 g/l
ALOGPS
logP
1.64
ChemAxon
IUPAC Name
phenylboronic acid
ChemAxon
Traditional IUPAC Name
phenyl boronic acid
ChemAxon
Molecular Weight
121.93
ChemAxon
Monoisotopic Weight
122.053909934
ChemAxon
SMILES
OB(O)C1=CC=CC=C1
ChemAxon
Molecular Formula
C6H7BO2
ChemAxon
InChI
InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H
ChemAxon
InChIKey
InChIKey=HXITXNWTGFUOAU-UHFFFAOYSA-N
ChemAxon
Polar Surface Area (PSA)
40.46
ChemAxon
Refractivity
30.6
ChemAxon
Polarizability
12.84
ChemAxon
Rotatable Bond Count
1
ChemAxon
H Bond Acceptor Count
2
ChemAxon
H Bond Donor Count
2
ChemAxon
pKa (strongest acidic)
8.76
ChemAxon
pKa (strongest basic)
-5.4
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
1
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
ChEBI
38271
PubChem Compound
66827
PubChem Substance
46508036
ChemSpider
60191
BindingDB
26996
PDB
PBC
BE0001413
Cocaine esterase
Rhodococcus sp. (strain MB1 Bresler)
# 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
unknown
Cocaine esterase
Involved in hydrolase activity
Hydrolyzes cocaine to benzoate and ecgonine methyl ester, endowing the bacteria with the ability to utilize cocaine as a sole source of carbon and energy for growth, as this bacterium lives in the rhizosphere of coca plants
cocE
Cytoplasm (Probable)
None
4.31
62132.0
Rhodococcus sp. (strain MB1 Bresler)
GenBank Gene Database
AF173165
GenBank Protein Database
7229394
UniProtKB
Q9L9D7
UniProt Accession
COCE_RHOSM
EC 3.1.1.-
>Cocaine esterase
MVDGNYSVASNVMVPMRDGVRLAVDLYRPDADGPVPVLLVRNPYDKFDVFAWSTQSTNWL
EFVRDGYAVVIQDTRGLFASEGEFVPHVDDEADAEDTLSWILEQAWCDGNVGMFGVSYLG
VTQWQAAVSGVGGLKAIAPSMASADLYRAPWYGPGGALSVEALLGWSALIGTGLITSRSD
ARPEDAADFVQLAAILNDVAGAASVTPLAEQPLLGRLIPWVIDQVVDHPDNDESWQSISL
FERLGGLATPALITAGWYDGFVGESLRTFVAVKDNADARLVVGPWSHSNLTGRNADRKFG
IAATYPIQEATTMHKAFFDRHLRGETDALAGVPKVRLFVMGIDEWRDETDWPLPDTAYTP
FYLGGSGAANTSTGGGTLSTSISGTESADTYLYDPADPVPSLGGTLLFHNGDNGPADQRP
IHDRDDVLCYSTEVLTDPVEVTGTVSARLFVSSSAVDTDFTAKLVDVFPDGRAIALCDGI
VRMRYRETLVNPTLIEAGEIYEVAIDMLATSNVFLPGHRIMVQVSSSNFPKYDRNSNTGG
VIAREQLEEMCTAVNRIHRGPEHPSHIVLPIIKR
>1725 bp
ATGGTGGACGGGAATTACAGTGTTGCCTCGAACGTGATGGTTCCGATGCGTGATGGGGTG
CGTCTGGCGGTCGACCTGTACCGACCAGATGCTGATGGACCTGTTCCGGTCCTGCTGGTT
CGCAACCCATACGACAAGTTCGACGTGTTCGCGTGGTCGACGCAGTCGACAAACTGGCTT
GAGTTCGTGCGTGATGGCTATGCCGTGGTCATTCAAGACACGCGTGGCTTGTTCGCATCG
GAAGGTGAGTTCGTCCCGCACGTTGACGACGAAGCTGACGCCGAGGATACGTTGAGCTGG
ATTCTGGAACAAGCGTGGTGCGACGGCAATGTGGGCATGTTCGGCGTTTCGTACTTGGGT
GTGACCCAGTGGCAGGCCGCCGTATCCGGCGTTGGTGGGCTGAAGGCGATCGCGCCGTCC
ATGGCGTCGGCGGACTTGTACCGCGCCCCGTGGTACGGCCCTGGTGGTGCGCTTTCAGTC
GAGGCGCTGTTGGGCTGGTCAGCTCTCATAGGTACTGGGCTCATCACGTCGAGGTCTGAC
GCCCGGCCCGAAGACGCAGCCGACTTCGTCCAACTCGCAGCAATTCTCAATGACGTCGCT
GGCGCGGCGTCGGTCACGCCCCTGGCCGAGCAACCGCTTCTGGGCCGACTGATTCCGTGG
GTGATCGATCAGGTTGTCGATCACCCCGACAACGATGAATCATGGCAGTCCATTAGCTTG
TTTGAACGACTCGGCGGGTTGGCAACACCGGCCTTGATCACGGCTGGGTGGTACGACGGG
TTCGTCGGCGAATCGTTGCGCACTTTCGTTGCGGTCAAGGACAATGCCGACGCACGTTTG
GTTGTCGGCCCTTGGAGTCACAGCAACCTCACTGGTCGGAATGCGGACCGGAAGTTCGGC
ATTGCCGCGACCTACCCGATTCAAGAAGCCACCACGATGCACAAGGCATTCTTCGACCGG
CACCTCCGCGGCGAGACCGATGCACTCGCAGGCGTCCCCAAAGTGCGGCTGTTCGTAATG
GGCATCGATGAGTGGCGTGACGAAACGGACTGGCCACTGCCGGACACGGCGTATACGCCC
TTCTATCTTGGAGGTAGCGGGGCTGCGAATACCTCCACGGGTGGTGGAACACTGTCGACG
TCGATTTCCGGAACTGAATCTGCTGACACCTACCTGTATGATCCGGCCGATCCCGTGCCT
TCGCTCGGGGGGACGCTGCTGTTCCACAACGGAGACAACGGACCCGCCGACCAACGTCCC
ATTCATGACCGGGACGACGTGTTGTGTTACAGCACTGAGGTATTGACCGACCCGGTGGAA
GTAACCGGCACCGTCTCCGCCCGGCTGTTCGTGTCGTCATCAGCGGTGGACACTGATTTC
ACCGCCAAACTTGTCGACGTATTTCCCGACGGTCGCGCGATCGCGCTGTGTGACGGGATC
GTGCGGATGCGGTACCGCGAGACGTTGGTCAATCCAACCTTGATCGAAGCGGGCGAAATC
TACGAGGTTGCTATCGACATGCTTGCAACCTCGAATGTATTCCTGCCAGGGCATCGCATC
ATGGTCCAAGTATCAAGTAGCAACTTCCCGAAATACGACCGCAATTCGAATACCGGCGGA
GTAATCGCACGGGAACAGCTCGAAGAGATGTGCACCGCCGTGAACCGCATTCACCGAGGA
CCTGAGCATCCCAGCCACATTGTGCTGCCGATTATCAAGCGATAG
PF02129
Peptidase_S15
PF08530
PepX_C
function
aminopeptidase activity
function
X-Pro aminopeptidase activity
function
catalytic activity
function
hydrolase activity
function
peptidase activity
function
exopeptidase activity
process
physiological process
process
metabolism
process
macromolecule metabolism
process
protein metabolism
process
cellular protein metabolism
process
proteolysis
"
|
| 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