Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02710"

Predicate	Value (sorted: default)
rdfs:label	"2,3,-Dihydroxybenzoylserine"
rdf:type	ns1:drugs
ns1:description	" 127658-43-9 experimental This compound belongs to the hippuric acid derivatives. These are compounds containing an hippuric acid or a derivative, with a structure characterized the presence of a benzoyl group linked to the N-terminal of a glycine. Hippuric Acid Derivatives Organic Compounds Benzenoids Benzene and Substituted Derivatives Benzamides N-acyl-alpha Amino Acids Salicylamides Benzoyl Derivatives Catechols Beta Hydroxy Acids and Derivatives Polyols Secondary Carboxylic Acid Amides Enols Primary Alcohols Carboxylic Acids Polyamines Enolates alpha-amino acid or derivative salicylamide salicylic acid or derivative 1,2-diphenol benzoyl beta-hydroxy acid phenol derivative hydroxy acid secondary carboxylic acid amide carboxamide group polyol polyamine primary alcohol enol enolate carboxylic acid derivative carboxylic acid amine organonitrogen compound alcohol logP 0.33 ALOGPS logS -1.6 ALOGPS Water Solubility 5.76e+00 g/l ALOGPS logP 0.09 ChemAxon IUPAC Name (2S)-2-[(2,3-dihydroxyphenyl)formamido]-3-hydroxypropanoic acid ChemAxon Traditional IUPAC Name (2S)-2-[(2,3-dihydroxyphenyl)formamido]-3-hydroxypropanoic acid ChemAxon Molecular Weight 241.1974 ChemAxon Monoisotopic Weight 241.058637089 ChemAxon SMILES [H][C@@](CO)(NC(=O)C1=C(O)C(O)=CC=C1)C(O)=O ChemAxon Molecular Formula C10H11NO6 ChemAxon InChI InChI=1S/C10H11NO6/c12-4-6(10(16)17)11-9(15)5-2-1-3-7(13)8(5)14/h1-3,6,12-14H,4H2,(H,11,15)(H,16,17)/t6-/m0/s1 ChemAxon InChIKey InChIKey=VDTYHTVHFIIEIL-LURJTMIESA-N ChemAxon Polar Surface Area (PSA) 127.09 ChemAxon Refractivity 56.12 ChemAxon Polarizability 22.06 ChemAxon Rotatable Bond Count 4 ChemAxon H Bond Acceptor Count 6 ChemAxon H Bond Donor Count 5 ChemAxon pKa (strongest acidic) 2.98 ChemAxon pKa (strongest basic) -2 ChemAxon Physiological Charge -1 ChemAxon Number of Rings 1 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon Ghose Filter true ChemAxon PubChem Compound 151483 PubChem Substance 46508900 ChemSpider 133509 PDB DBS BE0001084 Neutrophil gelatinase-associated lipocalin 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 Neutrophil gelatinase-associated lipocalin Involved in lipophilic molecule transport Transport of small lipophilic substances (Potential) LCN2 9q34 Secreted protein None 9.24 22588.0 Human HUGO Gene Nomenclature Committee (HGNC) HGNC:6526 GenAtlas LCN2 GeneCards LCN2 GenBank Gene Database X83006 GenBank Protein Database 929657 UniProtKB P80188 UniProt Accession NGAL_HUMAN 25 kDa alpha-2-microglobulin-related subunit of MMP-9 Lipocalin-2 Neutrophil gelatinase-associated lipocalin precursor NGAL Oncogene 24p3 p25 >Neutrophil gelatinase-associated lipocalin precursor MPLGLLWLGLALLGALHAQAQDSTSDLIPAPPLSKVPLQQNFQDNQFQGKWYVVGLAGNA ILREDKDPQKMYATIYELKEDKSYNVTSVLFRKKKCDYWIRTFVPGCQPGEFTLGNIKSY PGLTSYLVRVVSTNYNQHAMVFFKKVSQNREYFKITLYGRTKELTSELKENFIRFSKSLG LPENHIVFPVPIDQCIDG >597 bp ATGCCCCTAGGTCTCCTGTGGCTGGGCCTAGCCCTGTTGGGGGCTCTGCATGCCCAGGCC CAGGACTCCACCTCAGACCTGATCCCAGCCCCACCTCTGAGCAAGGTCCCTCTGCAGCAG AACTTCCAGGACAACCAATTCCAGGGGAAGTGGTATGTGGTAGGCCTGGCAGGGAATGCA ATTCTCAGAGAAGACAAAGACCCGCAAAAGATGTATGCCACCATCTATGAGCTGAAAGAA GACAAGAGCTACAATGTCACCTCCGTCCTGTTTAGGAAAAAGAAGTGTGACTACTGGATC AGGACTTTTGTTCCAGGTTGCCAGCCCGGCGAGTTCACGCTGGGCAACATTAAGAGTTAC CCTGGATTAACGAGTTACCTCGTCCGAGTGGTGAGCACCAACTACAACCAGCATGCTATG GTGTTCTTTAAGAAAGTTTCTCAAAACAGGGAGTACTTCAAGATCACCCTCTACGGGAGA ACCAAGGAGCTGACTTCGGAACTAAAGGAGAACTTCATCCGCTTCTCCAAATCTCTGGGC CTCCCTGAAAACCACATCGTCTTCCCTGTCCCAATCGACCAGTGTATCGACGGCTGA PF00061 Lipocalin function transporter activity function binding process cellular physiological process process transport process physiological process "
owl:sameAs	?:EXPT01126

All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines/drugbank_small.nt

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