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PredicateValue (sorted: default)
rdfs:label
"Uridine-5'-Diphosphate-N-Acetylmuramoyl-L-Alanine"
rdf:type
ns1:description
" experimental This compound belongs to the pyrimidine nucleotide sugars. These are pyrimidine nucleotides bound to a saccharide derivative through the terminal phosphate group. Pyrimidine Nucleotide Sugars Organic Compounds Organooxygen Compounds Carbohydrates and Carbohydrate Conjugates Glycosyl Compounds Pyrimidine Ribonucleoside Diphosphates Mixed Pentose/Hexose Disaccharides Glycoamino Acids and Derivatives N-acyl-alpha-hexosamines Disaccharide Phosphates N-acyl-alpha Amino Acids Organic Pyrophosphates Pyrimidones Hydropyrimidines Organophosphate Esters Oxanes Organic Phosphoric Acids Tetrahydrofurans Oxolanes Secondary Carboxylic Acid Amides Secondary Alcohols 1,2-Diols Primary Alcohols Enolates Polyamines Carboxylic Acids Ethers mixed pentose/hexose disaccharide glyco amino acid disaccharide phosphate n-acyl-alpha-hexosamine n-acyl-alpha amino acid or derivative n-acyl-alpha-amino acid glucosamine disaccharide alpha-amino acid or derivative amino sugar organic pyrophosphate pyrimidone hydropyrimidine pyrimidine phosphoric acid ester organic phosphate oxane oxolane tetrahydrofuran secondary alcohol 1,2-diol secondary carboxylic acid amide carboxamide group polyol enolate polyamine ether primary alcohol carboxylic acid derivative carboxylic acid alcohol organonitrogen compound amine logP -1.4 ALOGPS logS -1.9 ALOGPS Water Solubility 9.58e+00 g/l ALOGPS logP -5.1 ChemAxon IUPAC Name (2R)-2-[(2R)-2-{[(2R,3S,4S,5R,6S)-2-({[({[(2S,3R,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-3-acetamido-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}propanamido]propanoic acid ChemAxon Traditional IUPAC Name (2R)-2-[(2R)-2-{[(2R,3S,4S,5R,6S)-2-[({[(2S,3R,4R,5R)-5-(2,4-dioxo-3H-pyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxy]-3-acetamido-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}propanamido]propanoic acid ChemAxon Molecular Weight 750.4943 ChemAxon Monoisotopic Weight 750.139812636 ChemAxon SMILES C[C@@H](NC(=O)[C@@H](C)O[C@@H]1[C@@H](O)[C@H](CO)O[C@H](O[P@](O)(=O)O[P@@](O)(=O)OC[C@@H]2O[C@H]([C@H](O)[C@H]2O)N2C=CC(=O)NC2=O)[C@H]1NC(C)=O)C(O)=O ChemAxon Molecular Formula C23H36N4O20P2 ChemAxon InChI InChI=1S/C23H36N4O20P2/c1-8(21(35)36)24-19(34)9(2)43-18-14(25-10(3)29)22(45-11(6-28)16(18)32)46-49(40,41)47-48(38,39)42-7-12-15(31)17(33)20(44-12)27-5-4-13(30)26-23(27)37/h4-5,8-9,11-12,14-18,20,22,28,31-33H,6-7H2,1-3H3,(H,24,34)(H,25,29)(H,35,36)(H,38,39)(H,40,41)(H,26,30,37)/t8-,9-,11+,12+,14+,15+,16+,17-,18+,20-,22-/m1/s1 ChemAxon InChIKey InChIKey=NTMMCWJNQNKACG-RXHIUOCHSA-N ChemAxon Polar Surface Area (PSA) 355.81 ChemAxon Refractivity 150.18 ChemAxon Polarizability 65.65 ChemAxon Rotatable Bond Count 15 ChemAxon H Bond Acceptor Count 17 ChemAxon H Bond Donor Count 10 ChemAxon pKa (strongest acidic) 1.73 ChemAxon pKa (strongest basic) -3.7 ChemAxon Physiological Charge -3 ChemAxon Number of Rings 3 ChemAxon Bioavailability 0 ChemAxon MDDR-Like Rule true ChemAxon PubChem Compound 46936185 PubChem Substance 46507193 PDB UMA BE0001258 UDP-N-acetylmuramoylalanine--D-glutamate 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-acetylmuramoylalanine--D-glutamate ligase Cell wall/membrane/envelope biogenesis Cell wall formation. Catalyzes the addition of glutamate to the nucleotide precursor UDP-N-acetylmuramoyl-L-alanine (UMA) murD Cytoplasm None 4.96 46974.0 Escherichia coli (strain K12) GenBank Gene Database X51584 GenBank Protein Database 42060 UniProtKB P14900 UniProt Accession MURD_ECOLI D-glutamic acid- adding enzyme EC 6.3.2.9 UDP-N- acetylmuramoyl-L-alanyl-D-glutamate synthetase >UDP-N-acetylmuramoylalanine--D-glutamate ligase MADYQGKNVVIIGLGLTGLSCVDFFLARGVTPRVMDTRMTPPGLDKLPEAVERHTGSLND EWLMAADLIVASPGIALAHPSLSAAADAGIEIVGDIELFCREAQAPIVAITGSNGKSTVT TLVGEMAKAAGVNVGVGGNIGLPALMLLDDECELYVLELSSFQLETTSSLQAVAATILNV TEDHMDRYPFGLQQYRAAKLRIYENAKVCVVNADDALTMPIRGADERCVSFGVNMGDYHL NHQQGETWLRVKGEKVLNVKEMKLSGQHNYTNALAALALADAAGLPRASSLKALTTFTGL PHRFEVVLEHNGVRWINDSKATNVGSTEAALNGLHVDGTLHLLLGGDGKSADFSPLARYL NGDNVRLYCFGRDGAQLAALRPEVAEQTETMEQAMRLLAPRVQPGDMVLLSPACASLDQF KNFEQRGNEFARLAKELG >1317 bp ATGGCTGATTATCAGGGTAAAAATGTCGTCATTATCGGCCTGGGCCTCACCGGGCTTTCC TGCGTGGACTTTTTCCTCGCTCGCGGTGTGACGCCGCGCGTTATGGATACGCGTATGACA CCGCCTGGCCTGGATAAATTACCCGAAGCCGTAGAACGCCACACGGGCAGTCTGAATGAT GAATGGCTGATGGCGGCAGATCTGATTGTCGCCAGTCCCGGTATTGCACTGGCGCATCCA TCCTTAAGCGCTGCCGCTGATGCCGGAATCGAAATCGTTGGCGATATCGAGCTGTTCTGT CGCGAAGCACAAGCACCGATTGTGGCGATTACCGGTTCTAACGGCAAAAGCACGGTCACC ACGCTAGTGGGTGAAATGGCGAAAGCGGCGGGGGTTAACGTTGGTGTGGGTGGCAATATT GGCCTGCCTGCGTTGATGCTACTGGATGATGAGTGTGAACTGTACGTGCTGGAACTGTCG AGCTTCCAGCTGGAAACCACCTCCAGCTTACAGGCGGTAGCAGCGACCATTCTGAACGTG ACTGAAGATCATATGGATCGCTATCCGTTTGGTTTACAACAGTATCGTGCAGCAAAACTG CGCATTTACGAAAACGCGAAAGTTTGCGTGGTTAATGCTGATGATGCCTTAACAATGCCG ATTCGCGGTGCGGATGAACGCTGCGTCAGCTTTGGCGTCAACATGGGTGACTATCACCTG AATCATCAGCAGGGCGAAACCTGGCTGCGGGTTAAAGGCGAGAAAGTGCTGAATGTGAAA GAGATGAAACTTTCCGGGCAGCATAACTACACCAATGCGCTGGCGGCGCTGGCGCTGGCA GATGCTGCAGGGTTACCGCGTGCCAGCAGCCTGAAAGCGTTAACCACATTCACTGGTCTG CCGCATCGCTTTGAAGTTGTGCTGGAGCATAACGGCGTACGTTGGATTAACGATTCGAAA GCGACCAACGTCGGCAGTACGGAAGCGGCGCTGAATGGCCTGCACGTAGACGGCACACTG CATTTGTTGCTGGGTGGCGATGGTAAATCGGCGGACTTTAGCCCACTGGCGCGTTACCTG AATGGCGATAACGTACGTCTGTATTGTTTCGGTCGTGACGGCGCGCAGCTGGCGGCGCTA CGCCCGGAAGTGGCAGAACAAACCGAAACTATGGAACAGGCGATGCGCTTGCTGGCTCCG CGTGTTCAGCCGGGCGATATGGTTCTGCTCTCCCCAGCCTGTGCCAGCCTTGATCAGTTC AAGAACTTTGAACAACGAGGCAATGAGTTTGCCCGTCTGGCGAAGGAGTTAGGTTGA PF02875 Mur_ligase_C PF08245 Mur_ligase_M component cell component intracellular component cytoplasm function binding function nucleotide binding 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 UDP-N-acetylmuramoylalanine-D-glutamate ligase activity process macromolecule metabolism process cellular carbohydrate metabolism 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 BE0001247 UDP-N-acetylmuramate--L-alanine ligase Haemophilus influenzae (strain ATCC 51907 / DSM 11121 / KW20 / Rd) # 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-acetylmuramate--L-alanine ligase Cell wall/membrane/envelope biogenesis Cell wall formation murC Cytoplasm (Probable) None 5.97 51995.0 Haemophilus influenzae (strain ATCC 51907 / DSM 11121 / KW20 / Rd) GenBank Gene Database L42023 GenBank Protein Database 1574695 UniProtKB P45066 UniProt Accession MURC_HAEIN EC 6.3.2.8 UDP-N- acetylmuramoyl-L-alanine synthetase >UDP-N-acetylmuramate--L-alanine ligase MKHSHEEIRKIIPEMRRVQQIHFIGIGGAGMSGIAEILLNEGYQISGSDIADGVVTQRLA QAGAKIYIGHAEEHIEGASVVVVSSAIKDDNPELVTSKQKRIPVIQRAQMLAEIMRFRHG IAVAGTHGKTTTTAMISMIYTQAKLDPTFVNGGLVKSAGKNAHLGASRYLIAEADESDAS FLHLQPMVSVVTNMEPDHMDTYEGDFEKMKATYVKFLHNLPFYGLAVMCADDPVLMELVP KVGRQVITYGFSEQADYRIEDYEQTGFQGHYTVICPNNERINVLLNVPGKHNALNATAAL AVAKEEGIANEAILEALADFQGAGRRFDQLGEFIRPNGKVRLVDDYGHHPTEVGVTIKAA REGWGDKRIVMIFQPHRYSRTRDLFDDFVQVLSQVDALIMLDVYAAGEAPIVGADSKSLC RSIRNLGKVDPILVSDTSQLGDVLDQIIQDGDLILAQGAGSVSKISRGLAESWKN >1428 bp ATGAAACATTCCCACGAAGAAATTAGAAAAATTATCCCTGAAATGCGCCGTGTACAGCAA ATTCATTTCATTGGCATTGGTGGTGCGGGAATGAGCGGCATTGCAGAAATTTTATTAAAT GAAGGTTATCAAATTTCAGGTTCAGATATTGCCGATGGCGTAGTCACTCAACGTTTAGCT CAAGCTGGGGCAAAAATCTACATTGGTCATGCAGAAGAACATATTGAAGGTGCCAGTGTT GTTGTTGTGTCTAGTGCGATAAAAGATGATAACCCTGAATTAGTTACATCGAAACAAAAA CGCATTCCAGTGATTCAACGCGCACAAATGTTGGCGGAGATTATGCGTTTTCGTCACGGT ATTGCTGTTGCAGGAACACACGGGAAAACGACAACAACAGCAATGATTTCAATGATTTAC ACCCAAGCTAAACTTGATCCGACTTTTGTAAATGGCGGTTTAGTGAAATCGGCGGGTAAG AATGCACATTTAGGAGCAAGTCGTTATTTAATTGCCGAAGCCGATGAAAGTGATGCGTCG TTTTTGCATTTACAGCCAATGGTATCTGTTGTAACTAATATGGAGCCAGACCATATGGAT ACTTACGAAGGCGATTTTGAAAAAATGAAAGCCACTTATGTGAAATTCCTGCATAATTTA CCCTTCTATGGTTTAGCCGTGATGTGCGCTGATGATCCTGTTTTAATGGAACTTGTGCCA AAAGTTGGTCGCCAAGTGATTACATATGGTTTTAGTGAACAGGCAGATTATCGCATTGAA GATTATGAACAAACAGGTTTTCAAGGTCATTACACGGTGATTTGCCCAAATAATGAACGT ATTAATGTGTTGCTCAATGTTCCTGGAAAACATAATGCATTAAATGCAACGGCTGCACTT GCTGTAGCAAAAGAAGAGGGTATTGCTAACGAGGCAATTTTAGAAGCTCTGGCTGATTTT CAGGGGGCTGGTCGTCGTTTTGATCAGCTAGGCGAATTTATTCGTCCAAATGGTAAAGTG CGTTTAGTTGATGATTATGGTCATCATCCAACAGAAGTAGGCGTAACCATTAAAGCGGCG CGAGAAGGCTGGGGAGATAAACGTATTGTAATGATTTTCCAACCGCATCGTTATTCTCGC ACTCGTGATTTGTTTGATGATTTTGTACAAGTGCTTTCGCAAGTAGACGCTTTGATTATG CTTGATGTGTACGCAGCGGGAGAAGCCCCTATTGTTGGCGCTGACAGTAAATCTCTTTGC CGTTCCATTCGTAATCTTGGTAAAGTTGATCCTATTTTGGTATCAGATACTTCGCAACTA GGCGATGTTCTCGATCAAATTATTCAAGATGGCGATTTGATTTTGGCACAAGGTGCTGGT AGCGTAAGTAAAATTTCTCGTGGCTTGGCTGAATCTTGGAAGAATTAA 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 UDP-N-acetylmuramate-L-alanine 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 wall organization and biogenesis (sensu Bacteria) process cell division process cell wall biosynthesis (sensu Bacteria) process morphogenesis process cellular morphogenesis process metabolism process regulation of cell shape process macromolecule metabolism process cellular carbohydrate metabolism "
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