Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03579"

Predicate	Value (sorted: default)
rdfs:label	"Pyridoxyl-N,O-Cycloserylamide-5-Monophosphate"
rdf:type	drugbank:drugs
drugbank:description	" experimental This compound belongs to the oxazolidinones. These are compounds containing an oxatriazolidinone moiety, which is an oxatriazolidine bearing a ketone group. Oxazolidinones Organic Compounds Heterocyclic Compounds Azolidines Oxazolidines Pyridines and Derivatives Organophosphate Esters Organic Phosphoric Acids Isoxazolidines Polyamines Dialkylamines Carboxylic Acid Amides isoxazolidine carboxamide group secondary amine secondary aliphatic amine carboxylic acid derivative polyamine amine organonitrogen compound logP -1.4 ALOGPS logS -2.2 ALOGPS Water Solubility 2.21e+00 g/l ALOGPS logP -3.4 ChemAxon IUPAC Name {[5-hydroxy-6-methyl-4-({[(4R)-3-oxo-1,2-oxazolidin-4-yl]amino}methyl)pyridin-3-yl]methoxy}phosphonic acid ChemAxon Traditional IUPAC Name [5-hydroxy-6-methyl-4-({[(4R)-3-oxo-1,2-oxazolidin-4-yl]amino}methyl)pyridin-3-yl]methoxyphosphonic acid ChemAxon Molecular Weight 333.2344 ChemAxon Monoisotopic Weight 333.072586393 ChemAxon SMILES CC1=NC=C(COP(O)(O)=O)C(CN[C@@H]2CONC2=O)=C1O ChemAxon Molecular Formula C11H16N3O7P ChemAxon InChI InChI=1S/C11H16N3O7P/c1-6-10(15)8(3-13-9-5-20-14-11(9)16)7(2-12-6)4-21-22(17,18)19/h2,9,13,15H,3-5H2,1H3,(H,14,16)(H2,17,18,19)/t9-/m1/s1 ChemAxon InChIKey InChIKey=NNRZSZJOQKAGTO-SECBINFHSA-N ChemAxon Polar Surface Area (PSA) 150.24 ChemAxon Refractivity 73.34 ChemAxon Polarizability 29.33 ChemAxon Rotatable Bond Count 6 ChemAxon H Bond Acceptor Count 8 ChemAxon H Bond Donor Count 5 ChemAxon pKa (strongest acidic) 1.74 ChemAxon pKa (strongest basic) 7.99 ChemAxon Physiological Charge -2 ChemAxon Number of Rings 2 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon PubChem Compound 445005 PubChem Substance 46504755 PDB SCP BE0003132 Aminodeoxychorismate lyase Escherichia coli (strain K12) unknown Aminodeoxychorismate lyase Involved in catalytic activity Converts 4-amino-4-deoxychorismate into 4-aminobenzoate (PABA) and pyruvate pabC None 6.49 29715.0 Escherichia coli (strain K12) GenBank Gene Database M93135 UniProtKB P28305 UniProt Accession PABC_ECOLI 4-amino-4-deoxychorismate lyase ADC lyase ADCL EC 4.1.3.38 >Aminodeoxychorismate lyase MFLINGHKQESLAVSDRATQFGDGCFTTARVIDGKVSLLSAHIQRLQDACQRLMISCDFW PQLEQEMKTLAAEQQNGVLKVVISRGSGGRGYSTLNSGPATRILSVTAYPAHYDRLRNEG ITLALSPVRLGRNPHLAGIKHLNRLEQVLIRSHLEQTNADEALVLDSEGWVTECCAANLF WRKGNVVYTPRLDQAGVNGIMRQFCIRLLAQSSYQLVEVQASLEESLQADEMVICNALMP VMPVCACGDVSFSSATLYEYLAPLCERPN >810 bp ATGTTCTTAATTAACGGTCATAAGCAGGAATCGCTGGCAGTAAGCGATCGGGCAACGCAG TTTGGTGATGGTTGTTTTACCACCGCCAGAGTTATCGACGGTAAAGTCAGTTTGTTATCG GCGCATATCCAGCGACTACAGGATGCTTGTCAGCGGTTGATGATTTCCTGTGACTTCTGG CCTCAGCTTGAACAAGAGATGAAAACGCTGGCAGCAGAACAGCAAAATGGTGTGCTGAAA GTCGTGATCAGTCGCGGTAGTGGCGGGCGAGGGTACAGCACATTGAACAGCGGACCGGCA ACGCGGATTCTCTCCGTTACGGCTTATCCTGCACATTACGACCGTTTGCGTAACGAGGGG ATTACGTTGGCGCTAAGCCCGGTGCGGCTGGGGCGCAATCCTCATCTTGCAGGTATTAAA CATCTCAATCGTCTTGAGCAAGTATTGATTCGCTCTCATCTTGAGCAGACAAACGCTGAT GAGGCGCTGGTCCTTGACAGCGAAGGGTGGGTTACGGAATGCTGTGCGGCTAATTTGTTC TGGCGGAAGGGCAACGTAGTTTATACGCCGCGACTGGATCAGGCAGGTGTTAACGGCATT ATGCGACAATTCTGTATCCGTTTGCTGGCACAATCCTCTTATCAGCTTGTCGAAGTGCAA GCCTCTCTGGAAGAGTCGTTGCAGGCAGATGAGATGGTTATTTGTAATGCGTTAATGCCA GTGATGCCCGTATGTGCCTGTGGCGATGTCTCCTTTTCGTCAGCAACGTTATATGAATAT TTAGCCCCACTTTGTGAGCGCCCGAATTAG PF01063 Aminotran_4 function catalytic activity process metabolism process physiological process BE0001344 Alanine racemase Geobacillus stearothermophilus # 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 Alanine racemase Cell wall/membrane/envelope biogenesis Provides the D-alanine required for cell wall biosynthesis alr None 7.11 43594.0 Geobacillus stearothermophilus GenBank Gene Database M19142 GenBank Protein Database 142467 UniProtKB P10724 UniProt Accession ALR_GEOSE EC 5.1.1.1 >Alanine racemase MNDFHRDTWAEVDLDAIYDNVENLRRLLPDDTHIMAVVKANAYGHGDVQVARTALEAGAS RLAVAFLDEALALREKGIEAPILVLGASRPADAALAAQQRIALTVFRSDWLEEASALYSG PFPIHFHLKMDTGMGRLGVKDEEETKRIVALIERHPHFVLEGLYTHFATADEVNTDYFSY QYTRFLHMLEWLPSRPPLVHCANSAASLRFPDRTFNMVRFGIAMYGLAPSPGIKPLLPYP LKEAFSLHSRLVHVKKLQPGEKVSYGATYTAQTEEWIGTIPIGYADGWLRRLQHFHVLVD GQKAPIVGRICMDQCMIRLPGPLPVGTKVTLIGRQGDEVISIDDVARHLETINYEVPCTI SYRVPRIFFRHKRIMEVRNAIGRGESSA >1161 bp ATGAACGACTTTCATCGCGATACGTGGGCGGAAGTGGATTTGGACGCCATTTACGACAAT GTGGAGAATTTGCGCCGTTTGCTGCCGGACGACACGCACATTATGGCGGTCGTGAAAGCG AACGCCTATGGACATGGGGATGTGCAGGTGGCAAGGACAGCGCTCGAACGGGGGCCTCCG CCTGCGGTTGCCTTTTTGGATGAGGCGCTCGCTTTAAGGGAAAAAGGAATCGAAGCGCCG ATTCTAGTTCTCGGGGCTTCCCGTCCAGCTGATGCGGCGCTGGCCGCCCAGCAGCGCATT GCCCTGACCGTGTTCCGCTCCGACTGGTTGGAAGAAGCGTCCGCCCTTTACAGCGGCCCT TTTCCTATTCATTTCCATTTGAAAATGGACACCGGCATGGGACGGCTTGGAGTGAAAGAC GAGGAAGAGACGAAACGAATCGTAGCGCTGATTGAGCGCCATCCGCATTTTGTGCTTGAA GGGTTGTACACGCATTTTGCGACTGCGGATGAGGTGAACACCGATTATTTTTCCTATCAG TATACCCGTTTTTTGCACATGCTCGAATGGCTGCCGTCGCGCCCGCCGCTCGTCCATTGC GCCAACAGCGCAGCGTCGCTCCGTTTCCCTGACCGGACGTTCAATATGGTCCGCTTCGGC ATTGCCATGTATGGGCTTGCCCCGTCGCCCGGCATCAAGCCGCTGCTGCCGTATCCATTA AAAGAAGCATTTTCGCTCCATAGCCGCCTCGTACACGTCAAAAAACTGCAACCAGGCGAA AAGGTGAGCTATGGTGCGACGTACACTGCGCAGACGGAGGAGTGGATCGGGACGATTCCG ATCGGCTATGCGGACGGCGTCCGCCGCCTGCAGCACTTTCATGTCCTTGTTGACGGACAA AAGGCGCCGATTGTCGGCCGCATTTGCATGGACCAGTGCATGATCCGCCTGCCTGGTCCG CTGCCGGTCGGCACGAAGGTGACACTGATTGGTCGCCAAGGGGACGAGGTAATTTCCATT GATGATGTCGCTCGCCATTTGGAAACGATCAACTACGAAGTGCCTTGCACGATCAGTTAT CGAGTGCCCCGTATTTTTTTCCGCCATAAGCGTATAATGGAAGTGAGAAACGCCATTGGC CGCGGGGAAAGCAGTGCATAA PF00842 Ala_racemase_C PF01168 Ala_racemase_N function vitamin binding function pyridoxal phosphate binding function isomerase activity function racemase and epimerase activity function binding function racemase and epimerase activity, acting on amino acids and derivatives function alanine racemase activity function catalytic activity process amino acid and derivative metabolism process physiological process process pyruvate family amino acid metabolism process metabolism process alanine metabolism process cellular metabolism process amino acid metabolism BE0001512 UDP-4-amino-4-deoxy-L-arabinose--oxoglutarate aminotransferase Salmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720) # 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-4-amino-4-deoxy-L-arabinose--oxoglutarate aminotransferase Cell wall/membrane/envelope biogenesis Catalyzes the conversion of UDP-4-keto-arabinose (UDP- Ara4O) to UDP-4-amino-4-deoxy-L-arabinose (UDP-L-Ara4N). The modified arabinose is attached to lipid A and is required for resistance to polymyxin and cationic antimicrobial peptides arnB None 6.27 41166.0 Salmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720) GenBank Gene Database AF036677 GenBank Protein Database 2921419 UniProtKB Q8ZNF3 UniProt Accession ARNB_SALTY EC 2.6.1.- Polymyxin resistance protein pmrH UDP-(beta-L-threo-pentapyranosyl-4''-ulose diphosphate UDP-Ara4O aminotransferase >UDP-4-amino-4-deoxy-L-arabinose--oxoglutarate aminotransferase MSDFLPFSRPAMGAEELAAVKTVLDSGWITTGPKNQELEAAFCRLTGNQYAVAVSSATAG MHIALMALGIGEGDEVITPSMTWVSTLNMIVLLGANPVMVDVDRDTLMVTPEHIEAAITP QTKAIIPVHYAGAPADLDAIYALGERYGIPVIEDAAHATGTSYKGRHIGARGTAIFSFHA IKNITCAEGGIVVTDNPQFADKLRSLKFHGLGVDAWDRQSGGRAPQAEVLAPGYKYNLPD LNAAIALAQLQKLDALNARRAAIAAQYHQAMADLPFQPLSLPSWEHIHAWHLFIIRVDEA RCGITRDALMASLKTKGIGTGLHFRAAHTQKYYRERFPTLTLPDTEWNSERICSLPLFPD MTESDFDRVITALHQIAGQ >1158 bp ATGGCTGAAGGAAAAATGATGTCGGACTTTTTGCCTTTCTCCCGTCCGGCGATGGGCGCG GAAGAGCTTGCTGCCGTTAAGACCGTACTGGACTCAGGTTGGATAACAACCGGCCCGAAA AATCAGGAACTGGAAGCGGCGTTTTGTCGGCTAACTGGCAATCAATATGCCGTTGCCGTC AGTTCAGCCACTGCCGGTATGCACATCGCGTTGATGGCGCTGGGCATTGGTGAAGGCGAC GAGGTCATTACACCGTCAATGACGTGGGTTTCTACGCTAAATATGATCGTTTTACTCGGC GCGAACCCCGTCATGGTCGATGTCGATCGCGATACGCTGATGGTCACGCCTGAACATATC GAAGCCGCGATTACGCCACAAACCAAAGCAATTATCCCCGTCCACTACGCTGGCGCGCCC GCCGATCTGGACGCTATTTACGCTCTTGGCGAGCGTTATGGCATTCCAGTGATTGAAGAC GCGGCGCACGCGACAGGAACCAGCTACAAAGGTCGCCACATTGGCGCCCGGGGCACCGCG ATTTTCTCCTTCCACGCCATTAAGAACATTACCTGCGCTGAAGGCGGTATCGTCGTCACG GATAACCCGCAATTCGCCGATAAACTGCGCAGTCTCAAGTTTCACGGGCTTGGCGTTGAT GCCTGGGATCGACAGAGCGGGGGACGCGCGCCACAAGCGGAAGTCCTGGCGCCGGGCTAC AAATATAATTTGCCCGACCTCAACGCCGCTATCGCGCTTGCCCAGTTACAGAAACTGGAT GCGCTTAACGCTCGACGCGCCGCCATCGCAGCGCAGTACCACCAGGCAATGGCAGACCTG CCTTTTCAGCCTGTGAGCCTTCCGTCGTGGGAGCATATTCACGCCTGGCATTTATTCATT ATCCGGGTCGATGAAGCCCGCTGCGGTATTACCCGGGATGCTCTGATGGCATCGCTGAAG ACGAAAGGCATCGGCACAGGGCTGCATTTCCGCGCCGCGCATACGCAAAAATATTATCGC GAACGTTTCCCAACGCTCACGCTGCCTGACACCGAGTGGAACAGCGAGCGGATCTGCTCA CTGCCGCTCTTCCCGGACATGACCGAGAGTGACTTTGATCGAGTCATTACCGCCCTTCAT CAGATAGCAGGACAATAA PF01041 DegT_DnrJ_EryC1 "
owl:sameAs	drug:EXPT02870

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

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