Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB04287"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"(S)-5-(4-Benzyloxy-Phenyl)-4-(7-Phenyl-Heptanoylamino)-Pentanoic Acid"
|
| rdf:type | |
| ns1:description |
"
experimental
This compound belongs to the gamma amino acids and derivatives. These are amino acids having a (-NH2) group attached to the gamma carbon atom.
Gamma Amino Acids and Derivatives
Organic Compounds
Organic Acids and Derivatives
Carboxylic Acids and Derivatives
Amino Acids, Peptides, and Analogues
N-acyl Amines
Amphetamines and Derivatives
Carbocyclic Fatty Acids
Benzylethers
Phenol Ethers
Amino Fatty Acids
Alkyl Aryl Ethers
Secondary Carboxylic Acid Amides
Enolates
Polyamines
Carboxylic Acids
amphetamine or derivative
benzylether
phenol ether
alkyl aryl ether
benzene
carboxamide group
secondary carboxylic acid amide
polyamine
enolate
ether
carboxylic acid
organonitrogen compound
amine
logP
5.79
ALOGPS
logS
-7.2
ALOGPS
Water Solubility
3.21e-05 g/l
ALOGPS
logP
6.89
ChemAxon
IUPAC Name
(4R)-5-[4-(benzyloxy)phenyl]-4-(7-phenylheptanamido)pentanoic acid
ChemAxon
Traditional IUPAC Name
(4R)-5-[4-(benzyloxy)phenyl]-4-(7-phenylheptanamido)pentanoic acid
ChemAxon
Molecular Weight
487.6298
ChemAxon
Monoisotopic Weight
487.272258677
ChemAxon
SMILES
OC(=O)CC[C@H](CC1=CC=C(OCC2=CC=CC=C2)C=C1)NC(=O)CCCCCCC1=CC=CC=C1
ChemAxon
Molecular Formula
C31H37NO4
ChemAxon
InChI
InChI=1S/C31H37NO4/c33-30(16-10-2-1-5-11-25-12-6-3-7-13-25)32-28(19-22-31(34)35)23-26-17-20-29(21-18-26)36-24-27-14-8-4-9-15-27/h3-4,6-9,12-15,17-18,20-21,28H,1-2,5,10-11,16,19,22-24H2,(H,32,33)(H,34,35)/t28-/m1/s1
ChemAxon
InChIKey
InChIKey=KWLUIYFCMHKLKY-MUUNZHRXSA-N
ChemAxon
Polar Surface Area (PSA)
75.63
ChemAxon
Refractivity
142.74
ChemAxon
Polarizability
56.49
ChemAxon
Rotatable Bond Count
16
ChemAxon
H Bond Acceptor Count
4
ChemAxon
H Bond Donor Count
2
ChemAxon
pKa (strongest acidic)
4.26
ChemAxon
pKa (strongest basic)
0.22
ChemAxon
Physiological Charge
-1
ChemAxon
Number of Rings
3
ChemAxon
Bioavailability
0
ChemAxon
MDDR-Like Rule
true
ChemAxon
PubChem Compound
46936942
PubChem Substance
46505081
PDB
BHP
BE0001640
Phospholipase A2, membrane associated
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
unknown
Phospholipase A2, membrane associated
Involved in phospholipase A2 activity
Thought to participate in the regulation of the phospholipid metabolism in biomembranes including eicosanoid biosynthesis. Catalyzes the calcium-dependent hydrolysis of the 2- acyl groups in 3-sn-phosphoglycerides
PLA2G2A
1p35
Membrane; peripheral membrane protein
None
9.51
16083.0
Human
HUGO Gene Nomenclature Committee (HGNC)
HGNC:9031
GenAtlas
PLA2G2A
GeneCards
PLA2G2A
GenBank Gene Database
M22430
GenBank Protein Database
190889
UniProtKB
P14555
UniProt Accession
PA2GA_HUMAN
EC 3.1.1.4
GIIC sPLA2
Group IIA phospholipase A2
Non-pancreatic secretory phospholipase A2
NPS-PLA2
Phosphatidylcholine 2-acylhydrolase
Phospholipase A2, membrane associated precursor
>Phospholipase A2, membrane associated precursor
MKTLLLLAVIMIFGLLQAHGNLVNFHRMIKLTTGKEAALSYGFYGCHCGVGGRGSPKDAT
DRCCVTHDCCYKRLEKRGCGTKFLSYKFSNSGSRITCAKQDSCRSQLCECDKAAATCFAR
NKTTYNKKYQYYSNKHCRGSTPRC
>435 bp
ATGAAGACCCTCCTACTGTTGGCAGTGATCATGATCTTTGGCCTACTGCAGGCCCATGGG
AATTTGGTGAATTTCCACAGAATGATCAAGTTGACGACAGGAAAGGAAGCCGCACTCAGT
TATGGCTTCTACGGCTGCCACTGTGGCGTGGGTGGCAGAGGATCCCCCAAGGATGCAACG
GATCGCTGCTGTGTCACTCATGACTGTTGCTACAAACGTCTGGAGAAACGTGGATGTGGC
ACCAAATTTCTGAGCTACAAGTTTAGCAACTCGGGGAGCAGAATCACCTGTGCAAAACAG
GACTCCTGCAGAAGTCAACTGTGTGAGTGTGATAAGGCTGCTGCCACCTGTTTTGCTAGA
AACAAGACGACCTACAATAAAAAGTACCAGTACTATTCCAATAAACACTGCAGAGGGAGC
ACCCCTCGTTGCTGA
PF00068
Phospholip_A2_1
function
cation binding
function
calcium ion binding
function
hydrolase activity, acting on ester bonds
function
binding
function
carboxylic ester hydrolase activity
function
lipase activity
function
catalytic activity
function
phospholipase activity
function
phospholipase A2 activity
function
hydrolase activity
function
ion binding
process
primary metabolism
process
lipid metabolism
process
physiological process
process
metabolism
process
lipid catabolism
"
|
| 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