Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB04287"

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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 "
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"(S)-5-(4-Benzyloxy-Phenyl)-4-(7-Phenyl-Heptanoylamino)-Pentanoic Acid"

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