Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02954"

PredicateValue (sorted: none)
rdfs:label
"(Carboxyhydroxyamino)Ethanoic Acid"
rdf:type
drugbank:drugs
owl:sameAs
drug:EXPT01687
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 Dicarboxylic Acids and Derivatives Polyols Enolates Polyamines Carboxylic Acids dicarboxylic acid derivative polyol carboxylic acid polyamine enolate amine organonitrogen compound logP -0.66 ALOGPS logS -0.78 ALOGPS Water Solubility 2.26e+01 g/l ALOGPS logP -0.86 ChemAxon IUPAC Name 2-[carboxy(hydroxy)amino]acetic acid ChemAxon Traditional IUPAC Name [carboxy(hydroxy)amino]acetic acid ChemAxon Molecular Weight 135.0755 ChemAxon Monoisotopic Weight 135.016772275 ChemAxon SMILES ON(CC(O)=O)C(O)=O ChemAxon Molecular Formula C3H5NO5 ChemAxon InChI InChI=1S/C3H5NO5/c5-2(6)1-4(9)3(7)8/h9H,1H2,(H,5,6)(H,7,8) ChemAxon InChIKey InChIKey=LJSQPIOQKDFEKE-UHFFFAOYSA-N ChemAxon Polar Surface Area (PSA) 98.07 ChemAxon Refractivity 24.07 ChemAxon Polarizability 10.3 ChemAxon Rotatable Bond Count 2 ChemAxon H Bond Acceptor Count 5 ChemAxon H Bond Donor Count 3 ChemAxon pKa (strongest acidic) 2.48 ChemAxon pKa (strongest basic) -6 ChemAxon Physiological Charge -2 ChemAxon Number of Rings 0 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon PubChem Compound 4633094 PubChem Substance 46505870 PDB HAD BE0001441 Adenylosuccinate synthetase Escherichia coli (strain K12) # 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 Adenylosuccinate synthetase Nucleotide transport and metabolism Plays an important role in the de novo pathway of purine nucleotide biosynthesis purA Cytoplasm None 5.13 47346.0 Escherichia coli (strain K12) GenBank Gene Database J04199 GenBank Protein Database 147406 UniProtKB P0A7D4 UniProt Accession PURA_ECOLI AdSS AMPSase EC 6.3.4.4 IMP--aspartate ligase >Adenylosuccinate synthetase MGNNVVVLGTQWGDEGKGKIVDLLTERAKYVVRYQGGHNAGHTLVINGEKTVLHLIPSGI LRENVTSIIGNGVVLSPAALMKEMKELEDRGIPVRERLLLSEACPLILDYHVALDNAREK ARGAKAIGTTGRGIGPAYEDKVARRGLRVGDLFDKETFAEKLKEVMEYHNFQLVNYYKAE AVDYQKVLDDTMAVADILTSMVVDVSDLLDQARQRGDFVMFEGAQGTLLDIDHGTYPYVT SSNTTAGGVATGSGLGPRYVDYVLGILKAYSTRVGAGPFPTELFDETGEFLCKQGNEFGA TTGRRRRTGWLDTVAVRRAVQLNSLSGFCLTKLDVLDGLKEVKLCVAYRMPDGREVTTTP LAADDWKGVEPIYETMPGWSESTFGVKDRSGLPQAALNYIKRIEELTGVPIDIISTGPDR TETMILRDPFDA >1299 bp ATGGGTAACAACGTCGTCGTACTGGGCACCCAATGGGGTGACGAAGGTAAAGGTAAGATC GTCGATCTTCTGACTGAACGGGCTAAATATGTTGTACGCTACCAGGGCGGTCACAACGCA GGCCATACTCTCGTAATCAACGGTGAAAAAACCGTTCTCCATCTTATTCCATCAGGTATT CTCCGCGAGAATGTAACCAGCATCATCGGTAACGGTGTTGTGCTGTCTCCGGCCGCGCTG ATGAAAGAGATGAAAGAACTGGAAGACCGTGGCATCCCCGTTCGTGAGCGTCTGCTGCTG TCTGAAGCATGTCCGCTGATCCTTGATTATCACGTTGCGCTGGATAACGCGCGTGAGAAA GCGCGTGGCGCGAAAGCGATCGGCACCACCGGTCGTGGTATCGGGCCTGCTTATGAAGAT AAAGTAGCACGTCGCGGTCTGCGTGTTGGCGACCTTTTCGACAAAGAAACCTTCGCTGAA AAACTGAAAGAAGTGATGGAATATCACAACTTCCAGTTGGTTAACTACTACAAAGCTGAA GCGGTTGATTACCAGAAAGTTCTGGATGATACGATGGCTGTTGCCGACATCCTGACTTCT ATGGTGGTTGACGTTTCTGACCTGCTCGACCAGGCGCGTCAGCGTGGCGATTTCGTCATG TTTGAAGGTGCGCAGGGTACGCTGCTGGATATCGACCACGGTACTTATCCGTACGTAACT TCTTCCAACACCACTGCTGGTGGCGTGGCGACCGGTTCCGGCCTGGGCCCGCGTTATGTT GATTACGTTCTGGGTATCCTCAAAGCTTACTCCACTCGTGTAGGTGCAGGTCCGTTCCCG ACCGAACTGTTTGATGAAACTGGCGAGTTCCTCTGCAAGCAGGGTAACGAATTCGGCGCA ACTACGGGGCGTCGTCGTCGTACCGGCTGGCTGGACACCGTTGCCGTTCGTCGTGCGGTA CAGCTGAACTCCCTGTCTGGCTTCTGCCTGACTAAACTGGACGTTCTGGATGGCCTGAAA GAGGTTAAACTCTGCGTGGCTTACCGTATGCCGGATGGTCGCGAAGTGACTACCACTCCG CTGGCAGCTGACGACTGGAAAGGTGTAGAGCCGATTTACGAAACCATGCCGGGCTGGTCT GAATCCACCTTCGGCGTGAAAGATCGTAGCGGCCTGCCGCAGGCGGCGCTGAACTATATC AAGCGTATTGAAGAGCTGACTGGTGTGCCGATCGATATCATCTCTACCGATCCGGATCGT ACTGAAACCATGATTCTGCGCGACCCGTTCGACGCGTAA PF00709 Adenylsucc_synt function nucleotide binding function purine nucleotide binding function guanyl nucleotide binding function GTP binding function binding function ligase activity function ligase activity, forming carbon-nitrogen bonds function catalytic activity function adenylosuccinate synthase activity process nucleobase, nucleoside, nucleotide and nucleic acid metabolism process nucleotide metabolism process physiological process process purine nucleotide metabolism process metabolism process purine nucleotide biosynthesis process cellular metabolism BE0001828 Adenylosuccinate synthetase Shigella flexneri # 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 Adenylosuccinate synthetase Nucleotide transport and metabolism Plays an important role in the de novo pathway of purine nucleotide biosynthesis purA Cytoplasm None 5.13 47316.0 Shigella flexneri GenBank Gene Database AE005674 GenBank Protein Database 24054860 UniProtKB Q83P33 UniProt Accession PURA_SHIFL AdSS AMPSase EC 6.3.4.4 IMP--aspartate ligase >Adenylosuccinate synthetase MGNNVVVLGTQWGDEGKGKIVDLLTERAKYVVRYQGGHNAGHTLVINGEKTVLHLIPSGI LRENVTSIIGNGVVLSPAALMKEMKELEDRGIPVRERLLLSEACPLILDYHVALDNAREK ARGAKAIGTTGRGIGPAYEDKVARRGLRVGDLFDKETFAEKLKEVMEYHNFQLVNYYKAE AVDYQKVLDDTMAVADILTSMVVDVSDLLDQARQRGDFVMFEGAQGTLLDIDHGTYPYVT SSNTTAGGVATGSGLGPRYVDYVLGILKAYSTRVGAGPFPAELFDETGEFLCKQGNEFGA TTGRRRRTGWLDTVAVRRAVQLNSLSGFCLTKLDVLDGLKEVKLCVAYRMPDGREVTTTP LAADDWKGVEPIYETMPGWSESTFGVKDRSGLPQAALNYIKRIEELTGVPIDIISTGPDR TETMILRDPFDA >1299 bp ATGGGTAACAACGTCGTCGTACTGGGCACCCAATGGGGTGACGAAGGTAAAGGTAAGATC GTCGATCTTCTGACTGAACGGGCTAAATATGTTGTACGCTACCAGGGCGGTCACAACGCA GGCCATACTCTCGTAATCAACGGTGAAAAAACCGTTCTCCATCTTATTCCATCAGGTATT CTCCGCGAGAATGTAACCAGCATCATCGGTAACGGTGTTGTGCTGTCTCCGGCCGCGCTG ATGAAAGAGATGAAAGAACTGGAAGACCGTGGCATCCCCGTTCGTGAGCGTCTGCTGCTG TCTGAAGCATGTCCGCTGATCCTTGATTATCACGTTGCTCTGGATAACGCGCGTGAGAAA GCGCGTGGCGCGAAAGCGATCGGCACCACCGGTCGTGGTATCGGGCCTGCTTATGAAGAT AAAGTGGCACGTCGCGGTCTGCGTGTTGGCGACCTTTTCGACAAAGAAACCTTCGCTGAA AAACTGAAAGAAGTGATGGAATATCACAACTTCCAGTTGGTTAACTACTACAAAGCTGAA GCGGTTGATTACCAGAAAGTTCTGGATGATACGATGGCTGTTGCCGACATCCTGACTTCT ATGGTGGTTGACGTTTCTGACCTGCTCGACCAGGCGCGTCAGCGTGGCGATTTCGTCATG TTCGAAGGTGCGCAGGGTACGCTGCTGGATATCGACCACGGTACTTATCCGTACGTAACT TCTTCCAACACCACTGCTGGTGGCGTGGCGACCGGTTCCGGCCTGGGCCCGCGTTATGTT GATTACGTTCTGGGTATCCTCAAAGCTTACTCAACTCGTGTAGGTGCAGGTCCTTTCCCG GCCGAACTGTTTGATGAAACTGGCGAGTTCCTCTGCAAGCAGGGTAACGAATTCGGTGCA ACTACGGGTCGTCGTCGTCGTACCGGCTGGCTGGACACCGTTGCCGTTCGTCGTGCGGTA CAGCTGAACTCCCTGTCTGGCTTCTGCCTGACTAAACTGGACGTTCTGGATGGCCTGAAA GAGGTTAAACTCTGCGTGGCTTACCGTATGCCGGATGGTCGCGAAGTGACTACCACTCCG CTGGCAGCTGACGACTGGAAAGGTGTAGAGCCGATTTACGAAACCATGCCGGGCTGGTCT GAATCCACTTTCGGCGTGAAAGATCGTAGCGGCCTGCCGCAGGCGGCGCTGAACTACATC AAGCGTATTGAAGAGCTGACCGGTGTGCCGATCGATATCATCTCTACCGGTCCGGATCGT ACTGAAACCATGATTCTGCGCGACCCGTTCGACGCGTAA PF00709 Adenylsucc_synt function catalytic activity function adenylosuccinate synthase activity function nucleotide binding function purine nucleotide binding function guanyl nucleotide binding function GTP binding function binding function ligase activity function ligase activity, forming carbon-nitrogen bonds process purine nucleotide metabolism process metabolism process purine nucleotide biosynthesis process cellular metabolism process nucleobase, nucleoside, nucleotide and nucleic acid metabolism process nucleotide metabolism process physiological process "

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