Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03051"

Predicate	Value (sorted: default)
rdfs:label	"Tetrahydrofuran-2-Carboxylic Acid"
rdf:type	drugbank:drugs
drugbank:description	" experimental This compound belongs to the oxolanes. These are organic compounds containing an oxolane (tetrahydrofuran) ring, which is a saturated aliphatic five-member ring containing one oxygen and five carbon atoms. Oxolanes Organic Compounds Heterocyclic Compounds Oxolanes Tetrahydrofurans Ethers Polyamines Enolates Carboxylic Acids enolate polyamine ether carboxylic acid carboxylic acid derivative logP -0.03 ALOGPS logS 0.5 ALOGPS Water Solubility 3.64e+02 g/l ALOGPS logP 0.22 ChemAxon IUPAC Name (2R)-oxolane-2-carboxylic acid ChemAxon Traditional IUPAC Name (2R)-oxolane-2-carboxylic acid ChemAxon Molecular Weight 116.1152 ChemAxon Monoisotopic Weight 116.047344122 ChemAxon SMILES OC(=O)[C@H]1CCCO1 ChemAxon Molecular Formula C5H8O3 ChemAxon InChI InChI=1S/C5H8O3/c6-5(7)4-2-1-3-8-4/h4H,1-3H2,(H,6,7)/t4-/m1/s1 ChemAxon InChIKey InChIKey=UJJLJRQIPMGXEZ-SCSAIBSYSA-N ChemAxon Polar Surface Area (PSA) 46.53 ChemAxon Refractivity 26.38 ChemAxon Polarizability 10.97 ChemAxon Rotatable Bond Count 1 ChemAxon H Bond Acceptor Count 3 ChemAxon H Bond Donor Count 1 ChemAxon pKa (strongest acidic) 3.83 ChemAxon pKa (strongest basic) -4.2 ChemAxon Physiological Charge -1 ChemAxon Number of Rings 1 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon PubChem Compound 2734707 PubChem Substance 46507044 PDB TFB BE0001870 Quinohemoprotein ethanol dehydrogenase type-1 Comamonas testosteroni # 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 Quinohemoprotein ethanol dehydrogenase type-1 Carbohydrate transport and metabolism Catalyzes the dye-linked oxidation of primary alcohols to the corresponding aldehydes and the (subsequent) oxidation of the aldehydes to carboxylic acids qheDH Periplasm (Potential) None 9.21 76823.0 Comamonas testosteroni GenBank Gene Database X81880 GenBank Protein Database 663196 UniProtKB Q46444 UniProt Accession QHED_COMTE EC 1.1.99.- QH-EDH1 Quinohaemoprotein ethanol dehydrogenase type I Quinohaemoprotein ethanol dehydrogenase type-1 precursor >Quinohaemoprotein ethanol dehydrogenase type-1 precursor MERLIDNSHGWPGRMVWLLAACLGSAAAFAQTGPAAQAAAAVQRVDGDFIRANAARTPDW PTIGVDYAETRYSRLDQINAANVKDLGLAWSYNLESTRGVEATPVVVDGIMYVSASWSVV HAIDTRTGNRIWTYDPQIDRSTGFKGCCDVVNRGVALWKGKVYVGAWDGRLIALDAATGK EVWHQNTFEGQKGSLTITGAPRVFKGKVIIGKRGAEYGVRGYITAYDAETGERKWRWFSV PGDPSKPFEDESMKRAARTWDPSGKWWEAGGGGTMWDSMTFDAELNTMYVGTGNGSPWSH KVRSPKGGDNLYLASIVALDPDTGKYKWHYQETPGDNWDYTSTQPMILADIKIAGKPRKV ILHAPKNGFFFVLDRTNGKFISAKNFVPVNWASGYDKHGKPIGIAAARDGSKPQDAVPGP YGAHNWHPMSFNPQTGLVYLPAQNVPVNLMDDKKWEFNQAGPGKPQSGTGWNTAKFFNAE PPKSKPFGRLLAWDPVAQKAAWSVEHVSPWNGGTLTTAGNVVFQGTADGRLVAYHAATGE KLWEAPTGTGVVAAPSTYMVDGRQYVSVAVGWGGVYGLAARATERQGPGTVYTFVVAGKA RMPEFVAQRTGQLLQGVKYDPAKVEAGTMLYVANCVFCHGVPGVDRGGNIPNLGYMDASY IENLPNFVFKGPAMVRGMPDFTGKLSGDDVESLKAFIQGTADAIRPKP >2127 bp ATGGAACGGCTGATCGACAACTCTCATGGATGGCCGGGCCGCATGGTCTGGCTGCTGGCC GCCTGCCTGGGCAGCGCAGCGGCTTTCGCGCAAACCGGCCCTGCAGCGCAGGCTGCTGCT GCCGTGCAGCGCGTCGACGGCGATTTCATCCGCGCCAATGCCGCCAGGACGCCTGACTGG CCCACCATCGGCGTGGACTATGCCGAGACCCGCTACAGCCGCCTCGATCAGATCAATGCC GCCAACGTCAAGGACCTGGGCCTGGCATGGTCGTACAACCTCGAGTCCACGCGCGGCGTG GAGGCCACGCCTGTCGTGGTGGACGGCATCATGTATGTCAGCGCCTCATGGAGCGTGGTG CATGCCATCGACACCCGTACCGGCAACAGGATCTGGACCTATGACCCGCAGATCGACCGC AGCACCGGCTTCAAGGGGTGCTGCGACGTCGTCAACCGCGGCGTGGCGCTGTGGAAGGGC AAGGTCTATGTGGGGGCGTGGGATGGCCGCCTGATCGCGCTGGATGCCGCCACCGGCAAG GAGGTCTGGCACCAAAATACCTTCGAGGGGCAGAAGGGGTCGCTCACCATCACCGGCGCC CCGCGCGTGTTCAAGGGCAAGGTCATCATCGGCAAACGCGGCGCCGAATATGGCGTGCGC GGCTATATCACTGCCTATGACGCCGAGACCGGGGAGCGGAAATGGCGCTGGTTCAGCGTA CCCGGCGATCCCTCCAAACCCTTCGAGGACGAGTCCATGAAGCGCGCCGCCAGGACCTGG GACCCCAGCGGCAAATGGTGGGAGGCCGGCGGCGGCGGCACCATGTGGGACAGCATGACC TTCGATGCCGAACTCAACACCATGTACGTGGGCACGGGCAATGGATCGCCCTGGTCGCAC AAGGTGCGCAGCCCCAAGGGCGGCGACAACCTGTACCTGGCCTCCATCGTGGCCCTGGAT CCCGACACCGGCAAATACAAGTGGCACTATCAGGAAACACCGGGCGACAACTGGGACTAC ACCTCCACCCAGCCCATGATCCTGGCCGACATCAAGATCGCCGGCAAGCCGCGCAAGGTC ATACTGCATGCGCCCAAGAACGGCTTCTTCTTCGTGCTCGACCGCACCAATGGAAAGTTC ATCTCGGCCAAGAACTTCGTGCCCGTGAACTGGGCCAGCGGCTACGACAAGCACGGCAAG CCCATCGGCATTGCCGCAGCGCGCGACGGCAGCAAGCCCCAGGACGCGGTGCCGGGCCCC TATGGCGCGCACAACTGGCACCCCATGTCCTTCAACCCCCAGACGGGCCTGGTGTATCTG CCTGCGCAGAACGTGCCCGTCAACCTGATGGACGACAAGAAATGGGAGTTCAACCAGGCC GGACCGGGCAAGCCCCAGTCGGGCACCGGCTGGAACACGGCCAAGTTCTTCAATGCCGAG CCGCCCAAGAGCAAGCCCTTTGGTCGTCTGCTGGCCTGGGACCCCGTTGCGCAAAAGGCC GCCTGGAGCGTGGAGCATGTCTCGCCCTGGAACGGCGGCACGCTGACCACGGCGGGCAAT GTGGTGTTCCAGGGAACGGCTGATGGCCGCCTCGTGGCCTATCACGCGGCCACGGGCGAG AAACTGTGGGAAGCGCCCACGGGCACCGGTGTGGTGGCCGCGCCCAGCACCTATATGGTG GACGGCAGGCAGTATGTCTCGGTGGCCGTGGGCTGGGGCGGTGTCTACGGTCTGGCTGCG CGCGCCACCGAGCGCCAGGGCCCGGGCACGGTCTATACCTTCGTCGTGGCCGGCAAGGCC AGGATGCCGGAGTTCGTGGCCCAGCGCACCGGCCAGTTGCTGCAGGGCGTGAAATACGAC CCCGCCAAGGTCGAGGCCGGCACCATGCTGTATGTGGCCAACTGCGTTTTCTGTCACGGC GTGCCTGGCGTGGACCGTGGCGGAAACATTCCCAATCTGGGTTACATGGACGCGAGCTAT ATCGAGAACCTGCCAAACTTTGTCTTCAAGGGCCCGGCCATGGTGCGCGGCATGCCGGAC TTCACGGGCAAGTTGTCGGGCGATGACGTGGAGTCCCTCAAGGCCTTCATCCAGGGCACG GCGGACGCCATCCGGCCCAAGCCCTGA PF01011 PQQ component cell component periplasmic space component periplasmic space (sensu Gram-negative Bacteria) function tetrapyrrole binding function heme binding function binding process metabolism process cellular metabolism process generation of precursor metabolites and energy process electron transport process physiological process BE0001787 Bifunctional protein PutA 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 Bifunctional protein PutA Energy production and conversion Oxidizes proline to glutamate for use as a carbon and nitrogen source and also function as a transcriptional repressor of the put operon putA Cytoplasmic None 5.84 143817.0 Escherichia coli (strain K12) GenBank Gene Database U05212 GenBank Protein Database 468875 UniProtKB P09546 UniProt Accession PUTA_ECOLI Delta-1-pyrroline-5-carboxylate dehydrogenase EC 1.5.1.12 EC 1.5.99.8 Proline oxidase >Bifunctional protein putA [Includes: Proline dehydrogenase MGTTTMGVKLDDATRERIKSAATRIDRTPHWLIKQAIFSYLEQLENSDTLPELPALLSGA ANESDEAPTPAEEPHQPFLDFAEQILPQSVSRAAITAAYRRPETEAVSMLLEQARLPQPV AEQAHKLAYQLADKLRNQKNASGRAGMVQGLLQEFSLSSQEGVALMCLAEALLRIPDKAT RDALIRDKISNGNWQSHIGRSPSLFVNAATWGLLFTGKLVSTHNEASLSRSLNRIIGKSG EPLIRKGVDMAMRLMGEQFVTGETIAEALANARKLEEKGFRYSYDMLGEAALTAADAQAY MVSYQQAIHAIGKASNGRGIYEGPGISIKLSALHPRYSRAQYDRVMEELYPRLKSLTLLA RQYDIGINIDAEESDRLEISLDLLEKLCFEPELAGWNGIGFVIQAYQKRCPLVIDYLIDL ATRSRRRLMIRLVKGAYWDSEIKRAQMDGLEGYPVYTRKVYTDVSYLACAKKLLAVPNLI YPQFATHNAHTLAAIYQLAGQNYYPGQYEFQCLHGMGEPLYEQVTGKVADGKLNRPCRIY APVGTHETLLAYLVRRLLENGANTSFVNRIADTSLPLDELVADPVTAVEKLAQQEGQTGL PHPKIPLPRDLYGHGRDNSAGLDLANEHRLASLSSALLNSALQKWQALPMLEQPVAAGEM SPVINPAEPKDIVGYVREATPREVEQALESAVNNAPIWFATPPAERAAILHRAAVLMESQ MQQLIGILVREAGKTFSNAIAEVREAVDFLHYYAGQVRDDFANETHRPLGPVVCISPWNF PLAIFTGQIAAALAAGNSVLAKPAEQTPLIAAQGIAILLEAGVPPGVVQLLPGRGETVGA QLTGDDRVRGVMFTGSTEVATLLQRNIASRLDAQGRPIPLIAETGGMNAMIVDSSALTEQ VVVDVLASAFDSAGQRCSALRVLCLQDEIADHTLKMLRGAMAECRMGNPGRLTTDIGPVI DSEAKANIERHIQTMRSKGRPVFQAVRENSEDAREWQSGTFVAPTLIELDDFAELQKEVF GPVLHVVRYNRNQLPELIEQINASGYGLTLGVHTRIDETIAQVTGSAHVGNLYVNRNMVG AVVGVQPFGGEGLSGTGPKAGGPLYLYRLLANRPESALAVTLARQDAKYPVDAQLKAALT QPLNALREWAANRPELQALCTQYGELAQAGTQRLLPGPTGERNTWTLLPRERVLCIADDE QDALTQLAAVLAVGSQVLWPDDALHRQLVKALPSAVSERIQLAKAENITAQPFDAVIFHG DSDQLRALCEAVAARDGTIVSVQGFARGESNILLERLYIERSLSVNTAAAGGNASLMTIG >3963 bp ATGGGAACCACCACCATGGGGGTTAAGCTGGACGACGCGACGCGTGAGCGTATTAAGTCT GCCGCGACACGTATCGATCGCACACCACACTGGTTAATTAAGCAGGCGATTTTTTCTTAT CTCGAACAACTGGAAAACAGCGATACTCTGCCGGAGCTACCTGCGCTGCTTTCTGGCGCG GCCAATGAGAGCGATGAAGCACCGACTCCGGCAGAGGAACCACACCAGCCATTCCTCGAC TTTGCCGAGCAAATATTGCCCCAGTCGGTTTCCCGCGCCGCGATCACCGCGGCCTATCGC CGCCCGGAAACCGAAGCGGTTTCTATGCTGCTGGAACAAGCCCGCCTGCCGCAGCCAGTT GCTGAACAGGCGCACAAACTGGCGTATCAGCTGGCCGATAAACTGCGTAATCAAAAAAAT GCCAGTGGTCGCGCAGGTATGGTCCAGGGGTTATTGCAGGAGTTTTCGCTGTCATCGCAG GAAGGCGTGGCGCTGATGTGTCTGGCGGAAGCGTTGTTGCGTATTCCCGACAAAGCCACC CGCGACGCGTTAATTCGCGACAAAATCAGCAACGGTAACTGGCAGTCACACATTGGTCGT AGCCCGTCACTGTTTGTTAATGCCGCCACCTGGGGGCTGCTGTTTACTGGCAAACTGGTT TCCACCCATAACGAAGCCAGCCTCTCCCGCTCGCTGAACCGCATTATCGGTAAAAGCGGT GAACCGCTGATCCGCAAAGGTGTGGATATGGCGATGCGCCTGATGGGTGAGCAGTTCGTC ACTGGCGAAACCATCGCGGAAGCGTTAGCCAATGCCCGCAAGCTGGAAGAGAAAGGTTTC CGTTACTCTTACGATATGCTGGGCGAAGCCGCGCTGACCGCCGCAGATGCACAGGCGTAT ATGGTTTCCTATCAGCAGGCGATTCACGCCATCGGTAAAGCGTCTAACGGTCGTGGCATC TATGAAGGGCCGGGCATTTCAATCAAACTGTCGGCGCTGCATCCGCGTTATAGCCGCGCC CAGTATGACCGGGTAATGGAAGAGCTTTACCCGCGTCTGAAATCACTCACCCTGCTGGCG CGTCAGTACGATATTGGTATCAACATTGACGCCGAAGAGTCCGATCGCCTGGAGATCTCC CTCGATCTGCTGGAAAAACTCTGTTTCGAGCCGGAACTGGCAGGCTGGAACGGCATCGGT TTTGTTATTCAGGCTTATCAAAAACGCTGCCCGTTGGTGATCGATTACCTGATTGATCTC GCCACCCGCAGCCGTCGCCGTCTGATGATTCGCCTGGTGAAAGGCGCGTACTGGGATAGT GAAATTAAGCGTGCGCAGATGGACGGCCTTGAAGGTTATCCGGTTTATACCCGCAAGGTG TATACCGACGTTTCTTATCTCGCCTGTGCGAAAAAGCTGCTGGCGGTGCCGAATCTAATC TACCCGCAGTTCGCGACGCACAACGCCCATACGCTGGCGGCGATTTATCAACTGGCGGGG CAGAACTACTACCCGGGTCAGTACGAGTTCCAGTGCCTGCATGGTATGGGCGAGCCACTG TATGAGCAGGTCACCGGGAAAGTTGCCGACGCAAAACTTAACCGTCCGTGTCGTATTTAT GCTCCGGTTGGCACACATGAAACGCTGTTGGCGTATCTGGTGCGTCGCCTGCTGGAAAAC GGTGCTAACACCTCGTTTGTTAACCGTATTGCCGACACCTCTTTGCCACTGGATGAACTG GTCGCCGATCCGGTCACTGCTGTAGAAAAACTGGCGCAACAGGAAGGGCAAACTGGATTA CCGCATCCGAAAATTCCCCTGCCGCGCGATCTTTACGGTCACGGGCGCGACAACTCGGCA GGGCTGGATCTCGCTAACGAACACCGCCTGGCCTCGCTCTCCTCTGCCCTGCTCAATAGT GCACTGCAAAAATGGCAGGCCTTGCCAATGCTGGAACAACCGGTAGCGGCAGGTGAGATG TCGCCCGTTATTAACCCTGCGGAACCGAAAGATATTGTGGGCTATGTGCGTGAAGCCACG CCGCGTGAAGTAGAACAGGCGCTGGAAAGTGCGGTTAATAACGCGCCAATCTGGTTTGCC ACGCCTCCGGCTGAACGCGCAGCGATTTTGCACCGCGCTGCCGTGCTGATGGAAAGCCAG ATGCAGCAACTGATTGGTATTCTGGTGCGTGAGGCCGGAAAAACCTTCAGTAACGCCATT GCCGAAGTGCGCGAAGCGGTCGATTTTCTCCACTACTACGCCGGACAGGTGCGGGATGAT TTCGCTAACGAAACCCACCGTCCATTAGGGCCTGTGGTGTGTATCAGTCCGTGGAACTTC CCGCTGGCTATTTTCACCGGGCAGATCGCCGCCGCACTGGCGGCAGGTAACAGCGTGCTG GCAAAACCGGCAGAACAAACGCCGCTGATTGCCGCGCAAGGGATCGCCATTTTGCTGGAA GCGGGTGTACCGCCAGGCGTGGTGCAATTGCTGCCAGGTCGGGGTGAAACCGTGGGCGCG CAACTGACGGGTGATGATCGCGTGCGCGGGGTGATGTTTACCGGTTCAACCGAAGTCGCT ACGTTACTGCAGCGCAATATCGCCAGCCGCCTGGACGCTCAGGGTCGCCCTATTCCGCTC ATCGCTGAAACCGGCGGCATGAACGCGATGATTGTCGATTCTTCAGCACTGACCGAACAG GTCGTCGTGGATGTACTGGCCTCGGCGTTCGACAGTGCGGGTCAGCGTTGTTCGGCGCTG CGCGTGCTGTGCCTGCAAGATGAGATTGCCGACCACACGTTGAAAATGCTGCGCGGCGCA ATGGCCGAATGCCGGATGGGTAATCCGGGTCGCCTGACCACCGATATCGGTCCAGTGATT GATAGCGAAGCGAAAGCCAATATTGAGCGCCATATTCAGACCATGCGTAGCAAAGGCCGT CCGGTGTTCCAGGCGGTGCGGGAAAACAGCGAAGATGCCCGTGAATGGCAAAGCGGCACC TTTGTCGCCCCGACGCTGATCGAACTGGATGACTTTGCCGAATTGCAAAAAGAGGTCTTT GGTCCGGTGCTGCATGTGGTGCGTTACAACCGTAACCAGCTACCAGAGCTGATCGAGCAG ATTAACGCTTCCGGTTATGGTCTGACGCTTGGCGTCCATACGCGCATTGATGAAACCATC GCCCAGGTCACTGGCTCGGCCCATGTTGGTAACCTGTATGTTAACCGTAATATGGTGGGC GCAGTGGTTGGTGTGCAGCCGTTCGGCGGCGAAGGGTTGTCCGGTACCGGGCCGAAAGCA GGCGGTCCGCTCTATCTCTACCGTCTGCTGGCGAATCGCCCGGAAAGTGCGCTGGCAGTG ACGCTCGCGCGTCAGGATGCAAAGTATCCGGTCGATGCGCAGTTGAAAGCCGCATTGACT CAGCCGCTAAATGCACTGCGGGAATGGGCAGCAAATCGTCCAGAATTGCAGGCGTTATGT ACGCAATATGGCGAGCTGGCGCAGGCAGGAACACAACGATTGCTGCCGGGGCCGACGGGT GAACGCAACACCTGGACGCTGCTGCCGCGTGAGCGCGTGTTGTGTATTGCCGATGATGAG CAGGATGCGCTGACTCAGCTCGCCGCCGTGCTGGCGGTGGGCAGCCAGGTACTGTGGCCG GATGACGCGCTGCATCGTCAGTTAGTGAAGGCATTGCCATCGGCAGTCAGCGAACGTATT CAACTGGCGAAAGCGGAAAATATAACCGCTCAACCGTTTGATGCGGTGATCTTCCACGGT GATTCGGATCAGCTTCGCGCATTGTGTGAAGCAGTTGCCGCGCGGGATGGCACAATTGTT TCGGTGCAGGGTTTTGCCCGTGGCGAAAGCAATATCCTTCTGGAACGGCTGTATATCGAG CGTTCGCTGAGTGTGAATACCGCTGCCGCTGGCGGTAACGCCAGCTTAATGACTATAGGT TAA PF00171 Aldedh PF01619 Pro_dh function oxidoreductase activity, acting on the CH-NH group of donors function oxidoreductase activity, acting on the CH-NH group of donors, NAD or NADP as acceptor function oxidoreductase activity function nucleic acid binding function DNA binding function 1-pyrroline-5-carboxylate dehydrogenase activity function binding function transcription regulator activity function transcriptional repressor activity function catalytic activity function proline dehydrogenase activity process amino acid and derivative metabolism process glutamate biosynthesis process glutamine family amino acid metabolism process proline metabolism process proline biosynthesis process regulation of biological process process physiological process process regulation of physiological process process regulation of metabolism process negative regulation of transcription process metabolism process regulation of cellular metabolism process glutamate metabolism process cellular metabolism process regulation of nucleobase, nucleoside, nucleotide and nucleic acid metabolism process amino acid metabolism process regulation of transcription process proline catabolism "
owl:sameAs	drug:EXPT03042

All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt

The resource does not appear as an object

Context graph