Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03590"

Predicate	Value (sorted: none)
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 Amino Fatty Acids Dicarboxylic Acids and Derivatives Polyols Enolates Carboxylic Acids Polyamines Monoalkylamines dicarboxylic acid derivative polyol enolate polyamine carboxylic acid amine primary amine primary aliphatic amine organonitrogen compound logP -4.1 ALOGPS logS -1.1 ALOGPS Water Solubility 1.41e+01 g/l ALOGPS logP -5.5 ChemAxon IUPAC Name (2S,6S)-2,6-diaminoheptanedioic acid ChemAxon Traditional IUPAC Name 2,6-diaminopimelic acid ChemAxon Molecular Weight 190.1971 ChemAxon Monoisotopic Weight 190.095356946 ChemAxon SMILES N[C@@H](CCC[C@H](N)C(O)=O)C(O)=O ChemAxon Molecular Formula C7H14N2O4 ChemAxon InChI InChI=1S/C7H14N2O4/c8-4(6(10)11)2-1-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5-/m0/s1 ChemAxon InChIKey InChIKey=GMKMEZVLHJARHF-WHFBIAKZSA-N ChemAxon Polar Surface Area (PSA) 126.64 ChemAxon Refractivity 43.64 ChemAxon Polarizability 18.93 ChemAxon Rotatable Bond Count 6 ChemAxon H Bond Acceptor Count 6 ChemAxon H Bond Donor Count 4 ChemAxon pKa (strongest acidic) 1.85 ChemAxon pKa (strongest basic) 9.83 ChemAxon Physiological Charge 0 ChemAxon Number of Rings 0 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon ChEBI 23673 PubChem Compound 439283 PubChem Substance 46506904 PDB API BE0001538 UDP-N-acetylmuramoyl-L-alanyl-D-glutamate--2,6-diaminopimelate ligase 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 UDP-N-acetylmuramoyl-L-alanyl-D-glutamate--2,6-diaminopimelate ligase Cell wall/membrane/envelope biogenesis Cell wall formation. Diaminopimelic acid adding enzyme murE Cytoplasm (Probable) None 5.53 53344.0 Escherichia coli (strain K12) GenBank Gene Database X55814 GenBank Protein Database 296014 UniProtKB P22188 UniProt Accession MURE_ECOLI EC 6.3.2.13 Meso- diaminopimelate-adding enzyme UDP-MurNAc-tripeptide synthetase UDP-N-acetylmuramyl-tripeptide synthetase >UDP-N-acetylmuramoylalanyl-D-glutamate--2,6-diaminopimelate ligase MADRNLRDLLAPWVPDAPSRALREMTLDSRVAAAGDLFVAVVGHQADGRRYIPQAIAQGV AAIIAEAKDEATDGEIREMHGVPVIYLSQLNERLSALAGRFYHEPSDNLRLVGVTGTNGK TTTTQLLAQWSQLLGEISAVMGTVGNGLLGKVIPTENTTGSAVDVQHELAGLVDQGATFC AMEVSSHGLVQHRVAALKFAASVFTNLSRDHLDYHGDMEHYEAAKWLLYSEHHCGQAIIN ADDEVGRRWLAKLPDAVAVSMEDHINPNCHGRWLKATEVNYHDSGATIRFSSSWGDGEIE SHLMGAFNVSNLLLALATLLALGYPLADLLKTAARLQPVCGRMEVFTAPGKPTVVVDYAH TPDALEKALQAARLHCAGKLWCVFGCGGDRDKGKRPLMGAIAEEFADVAVVTDDNPRTEE PRAIINDILAGMLDAGHAKVMEGRAEAVTCAVMQAKENDVVLVAGKGHEDYQIVGNQRLD YSDRVTVARLLGVIA >1488 bp GTGGCAGATCGTAATTTGCGCGACCTTCTTGCTCCGTGGGTGCCAGACGCACCTTCGCGA GCACTGCGAGAGATGACACTCGACAGCCGTGTGGCTGCGGCGGGCGATCTCTTTGTAGCT GTAGTAGGTCATCAGGCGGACGGGCGTCGATATATCCCGCAGGCGATAGCGCAAGGTGTG GCTGCCATTATTGCAGAGGCGAAAGATGAGGCGACCGATGGTGAAATCCGTGAAATGCAC GGCGTACCGGTCATCTATCTCAGCCAGCTCAACGAGCGTTTATCTGCACTGGCGGGCCGC TTTTACCATGAACCCTCTGACAATTTACGTCTCGTGGGCGTAACGGGCACCAACGGCAAA ACCACGACTACCCAGCTGTTGGCGCAGTGGAGCCAACTGCTTGGCGAAATCAGCGCGGTA ATGGGCACCGTTGGTAACGGCCTGCTGGGGAAAGTGATCCCGACAGAAAATACAACCGGT TCGGCAGTCGATGTTCAGCATGAGCTGGCGGGGCTGGTGGATCAGGGCGCGACGTTTTGC GCAATGGAAGTTTCCTCCCACGGGCTGGTACAGCACCGTGTGGCGGCATTGAAATTTGCG GCGTCGGTCTTTACCAACTTAAGCCGCGATCACCTTGATTATCATGGTGATATGGAACAC TACGAAGCCGCGAAATGGCTGCTTTATTCTGAGCATCATTGCGGTCAGGCGATTATTAAC GCCGACGATGAAGTGGGCCGCCGCTGGCTGGCAAAACTGCCGGACGCGGTTGCGGTATCA ATGGAAGATCATATTAATCCGAACTGTCACGGACGCTGGTTGAAAGCGACCGAAGTGAAC TATCACGACAGCGGTGCGACGATTCGCTTTAGCTCAAGTTGGGGCGATGGCGAAATTGAA AGCCATCTGATGGGCGCTTTTAACGTCAGCAACCTGCTGCTCGCGCTGGCGACACTGTTG GCACTCGGCTATCCACTGGCTGATCTGCTGAAAACCGCCGCGCGTCTGCAACCGGTTTGC GGACGTATGGAAGTGTTCACTGCGCCAGGCAAACCGACGGTGGTGGTGGATTACGCGCAT ACGCCGGATGCACTGGAAAAAGCCTTACAGGCGGCGCGTCTGCACTGTGCGGGCAAGCTG TGGTGTGTCTTTGGCTGTGGTGGCGATCGCGATAAAGGTAAGCGTCCACTGATGGGCGCA ATTGCCGAAGAGTTTGCTGACGTGGCGGTGGTGACGGACGATAACCCGCGTACCGAAGAA CCGCGTGCCATCATCAACGATATTCTGGCGGGAATGTTAGATGCCGGACATGCCAAAGTG ATGGAAGGCCGTGCTGAAGCGGTGACTTGCGCCGTTATGCAGGCTAAAGAGAATGATGTG GTACTGGTCGCGGGCAAAGGCCATGAAGATTACCAGATTGTTGGCAATCAGCGTCTGGAC TACTCCGATCGCGTCACGGTGGCGCGTCTGCTGGGGGTGATTGCATGA PF02875 Mur_ligase_C PF08245 Mur_ligase_M PF01225 Mur_ligase component cell component intracellular component cytoplasm function purine nucleotide binding function adenyl nucleotide binding function ligase activity, forming carbon-nitrogen bonds function acid-amino acid ligase activity function catalytic activity function ATP binding function ligase activity function binding function nucleotide binding process peptidoglycan metabolism process physiological process process peptidoglycan biosynthesis process cellular physiological process process cell organization and biogenesis process biosynthesis process external encapsulating structure organization and biogenesis process carbohydrate metabolism process development process cell wall organization and biogenesis process cell division process cell wall organization and biogenesis (sensu Bacteria) process morphogenesis process cell wall biosynthesis (sensu Bacteria) process cellular morphogenesis process regulation of cell shape process metabolism process macromolecule metabolism process cellular carbohydrate metabolism BE0001593 Meso-diaminopimelate D-dehydrogenase Corynebacterium glutamicum (strain ATCC 13032 / DSM 20300 / JCM 1318 / LMG 3730 / NCIMB 10025) # 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 Meso-diaminopimelate D-dehydrogenase Involved in oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor Meso-2,6-diaminoheptanedioate + H(2)O + NADP(+) = L-2-amino-6-oxoheptanedioate + NH(3) + NADPH ddh None 5.19 35200.0 Corynebacterium glutamicum (strain ATCC 13032 / DSM 20300 / JCM 1318 / LMG 3730 / NCIMB 10025) GenBank Gene Database Y00151 GenBank Protein Database 40493 UniProtKB P04964 UniProt Accession DAPDH_CORGL EC 1.4.1.16 >Meso-diaminopimelate D-dehydrogenase MTNIRVAIVGYGNLGRSVEKLIAKQPDMDLVGIFSRRATLDTKTPVFDVADVDKHADDVD VLFLCMGSATDIPEQAPKFAQFACTVDTYDNHRDIPRHRQVMNEAATAAGNVALVSTGWD PGMFSINRVYAAAVLAEHQQHTFWGPGLSQGHSDALRRIPGVQKAVQYTLPSEDALEKAR RGEAGDLTGKQTHKRQCFVVADAADHERIENDIRTMPDYFVGYEVEVNFIDEATFDSEHT GMPHGGHVITTGDTGGFNHTVEYILKLDRNPDFTASSQIAFGRAAHRMKQQGQSGAFTVL EVAPYLLSPENLDDLIARDV >963 bp ATGACCAACATCCGCGTAGCTATCGTGGGCTACGGAAACCTGGGACGCAGCGTCGAAAAG CTTATTGCCAAGCAGCCCGACATGGACCTTGTAGGAATCTTCTCGCGCCGGGCCACCCTC GACACAAAGACGCCAGTCTTTGATGTCGCCGACGTGGACAAGCACGCCGACGACGTGGAC GTGCTGTTCCTGTGCATGGGCTCCGCCACCGACATCCCTGAGCAGGCACCAAAGTTCGCG CAGTTCGCCTGCACCGTAGACACCTACGACAACCACCGCGACATCCCACGCCACCGCCAG GTCATGAACGAAGCCGCCACCGCAGCCGGCAACGTTGCACTGGTCTCTACCGGCTGGGAT CCAGGAATGTTCTCCATCAACCGCGTCTACGCAGCGGCAGTCTTAGCCGAGCACCAGCAG CACACCTTCTGGGGCCCAGGTTTGTCACAGGGCCACTCCGATGCTTTGCGACGCATCCCT GGCGTTCAAAAGGCAGTCCAGTACACCCTCCCATCCGAAGACGCCCTGGAAAAGGCCCGC CGCGGCGAAGCCGGCGACCTTACCGGAAAGCAAACCCACAAGCGCCAATGCTTCGTGGTT GCCGACGCGGCCGATCACGAGCGCATCGAAAACGACATCCGCACCATGCCTGATTACTTC GTTGGCTACGAAGTCGAAGTCAACTTCATCGACGAAGCAACCTTCGACTCCGAGCACACC GGCATGCCACACGGTGGCCACGTGATTACCACCGGCGACACCGGTGGCTTCAACCACACC GTGGAATACATCCTCAAGCTGGACCGAAACCCAGATTTCACCGCTTCCTCACAGATCGCT TTCGGTCGCGCAGCTCACCGCATGAAGCAGCAGGGCCAAAGCGGAGCTTTCACCGTCCTC GAAGTTGCTCCATACCTGCTCTCCCCAGAGAACTTGGACGATCTGATCGCACGCGACGTC TAA PF01118 Semialdhyde_dh component cell component intracellular component cytoplasm function oxidoreductase activity function cofactor binding function coenzyme binding function binding function catalytic activity function NAD binding function oxidoreductase activity, acting on the aldehyde or oxo group of donors function oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor process amino acid and derivative metabolism process physiological process process metabolism process cellular metabolism process amino acid metabolism "
rdfs:label	"2,6-Diaminopimelic Acid"
rdf:type	drugbank:drugs
owl:sameAs	drug:EXPT00541

All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines2/drugbank_small.nt

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