Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02031"

PredicateValue (sorted: default)
rdfs:label
"(6s)-5,6,7,8-Tetrahydrofolate"
rdf:type
drugbank:drugs
drugbank:description
" 135-16-0 experimental This compound belongs to the pteroic acids and derivatives. These are compounds that are composed of a pterin with a 4-aminobenzoic acid (or derviative) at the 6 position on the pteridine ring. Pteroic Acids and Derivatives Organic Compounds Heterocyclic Compounds Pteridines and Derivatives Pterins and Derivatives N-acyl-alpha Amino Acids Hippuric Acid Derivatives Benzoyl Derivatives Amino Fatty Acids Pyrimidones Dicarboxylic Acids and Derivatives Primary Aromatic Amines Polyols Secondary Carboxylic Acid Amides Polyamines Carboxylic Acids Secondary Amines Enolates n-acyl-alpha amino acid or derivative n-acyl-alpha-amino acid hippurate alpha-amino acid or derivative benzamide benzoyl pyrimidone benzene dicarboxylic acid derivative pyrimidine primary aromatic amine secondary carboxylic acid amide carboxamide group polyol polyamine secondary amine enolate carboxylic acid carboxylic acid derivative primary amine amine organonitrogen compound logP -1.5 ALOGPS logS -3.2 ALOGPS Water Solubility 2.88e-01 g/l ALOGPS logP -3.2 ChemAxon IUPAC Name (2R)-2-{[4-({[(6R)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]formamido}pentanedioic acid ChemAxon Traditional IUPAC Name (2R)-2-{[4-({[(6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridin-6-yl]methyl}amino)phenyl]formamido}pentanedioic acid ChemAxon Molecular Weight 445.4292 ChemAxon Monoisotopic Weight 445.170981503 ChemAxon SMILES NC1=NC2=C(N[C@H](CNC3=CC=C(C=C3)C(=O)N[C@H](CCC(O)=O)C(O)=O)CN2)C(=O)N1 ChemAxon Molecular Formula C19H23N7O6 ChemAxon InChI InChI=1S/C19H23N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,11-12,21,23H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,20,22,25,26,30)/t11-,12-/m1/s1 ChemAxon InChIKey InChIKey=MSTNYGQPCMXVAQ-VXGBXAGGSA-N ChemAxon Polar Surface Area (PSA) 207.27 ChemAxon Refractivity 121.59 ChemAxon Polarizability 43.98 ChemAxon Rotatable Bond Count 9 ChemAxon H Bond Acceptor Count 11 ChemAxon H Bond Donor Count 8 ChemAxon pKa (strongest acidic) 3.2 ChemAxon pKa (strongest basic) 4.62 ChemAxon Physiological Charge -2 ChemAxon Number of Rings 3 ChemAxon Bioavailability 0 ChemAxon MDDR-Like Rule true ChemAxon ChEBI 15635 PubChem Compound 46936291 PubChem Substance 46508587 KEGG Compound C00101 PDB THG BE0001433 Nitric oxide synthase oxygenase Bacillus subtilis (strain 168) # 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 Nitric oxide synthase oxygenase Involved in nitric-oxide synthase activity Catalyzes the production of nitric oxide nos None 5.78 38751.0 Bacillus subtilis (strain 168) GenBank Gene Database D86417 GenBank Protein Database 2443234 UniProtKB O34453 UniProt Accession NOSO_BACSU EC 1.-.-.- NOSoxy-like protein >Nitric oxide synthase oxygenase MKDRLADIKSEIDLTGSYVHTKEELEHGAKMAWRNSNRCIGRLFWNSLNVIDRRDVRTKE EVRDALFHHIETATNNGKIRPTITIFPPEEKGEKQVEIWNHQLIRYAGYESDGERIGDPA SCSLTAACEELGWRGERTDFDLLPLIFRMKGDEQPVWYELPRSLVIEVPITHPDIEAFSD LELKWYGVPIISDMKLEVGGIHYNAAPFNGWYMGTEIGARNLADEKRYDKLKKVASVIGI AADYNTDLWKDQALVELNKAVLHSYKKQGVSIVDHHTAASQFKRFEEQEEEAGRKLTGDW TWLIPPISPAATHIFHRSYDNSIVKPNYFYQDKPYE >1011 bp TTACTCATAAGGCTTATCTTGATAAAAATAGTTCGGCTTAACGATTGAGTTATCATAGGA GCGGTGGAAGATATGAGTGGCAGCGGGTGAAATTGGCGGAATCAGCCACGTCCAGTCCCC CGTCAGCTTTCTGCCCGCTTCTTCCTCCTGTTCTTCAAACCGTTTAAACTGGCTTGCCGC TGTATGATGGTCAACGATGCTGACACCCTGCTTTTTATACGAGTGCAGCACAGCTTTATT CAATTCAACTAGCGCTTGATCCTTCCATAAATCCGTATTGTAATCAGCGGCGATGCCGAT CACGGACGCTACTTTTTTGAGCTTGTCGTACCGCTTTTCATCTGCGAGGTTTCTCGCTCC GATCTCCGTGCCCATATACCAGCCGTTAAATGGCGCGGCATTATAATGAATGCCCCCGAC CTCAAGCTTCATATCAGAAATAATAGGCACGCCGTACCACTTCAGCTCCAAATCAGAAAA CGCCTCGATGTCCGGATGTGTGATTGGAACCTCAATCACAAGTGAACGCGGCAGCTCATA CCAGACAGGCTGCTCGTCCCCTTTCATGCGAAAAATGAGCGGCAGCAGGTCAAAATCCGT TCGCTCTCCGCGCCAGCCGAGCTCTTCGCAGGCTGCTGTCAGGGAACAGGAAGCCGGGTC GCCGATTCTTTCTCCGTCTGACTCATATCCAGCGTACCGGATCAGCTGATGATTCCAGAT CTCGACTTGCTTTTCACCCTTCTCTTCCGGAGGGAAAATCGTAATGGTCGGTCTGATTTT CCCGTTATTGGTGGCGGTTTCAATATGGTGAAAGAGGGCATCACGCACTTCCTCCTTCGT CCGGACGTCTCGTCTGTCGATAACATTCAGCGAATTCCAGAACAATCTGCCGATGCAGCG GTTGCTGTTTCTCCAAGCCATTTTCGCTCCGTGCTCCAGCTCTTCCTTCGTATGTACATA GCTTCCGGTCAGGTCAATTTCACTTTTAATGTCCGCGAGACGGTCTTTCAC PF02898 NO_synthase function oxidoreductase activity function monooxygenase activity function oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, NAD or NADH as one donor, and incorporation of one atom of oxygen function nitric-oxide synthase activity function catalytic activity process metabolism process biosynthesis process nitric oxide biosynthesis process physiological process BE0001438 Thymidylate synthase 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 Thymidylate synthase Nucleotide transport and metabolism Provides the sole de novo source of dTMP for DNA biosynthesis. This protein also binds to its mRNA thus repressing its own translation thyA Cytoplasm None 5.94 30480.0 Escherichia coli (strain K12) GenBank Gene Database J01710 GenBank Protein Database 147987 UniProtKB P0A884 UniProt Accession TYSY_ECOLI EC 2.1.1.45 TS TSase >Thymidylate synthase MKQYLELMQKVLDEGTQKNDRTGTGTLSIFGHQMRFNLQDGFPLVTTKRCHLRSIIHELL WFLQGDTNIAYLHENNVTIWDEWADENGDLGPVYGKQWRAWPTPDGRHIDQITTVLNQLK NDPDSRRIIVSAWNVGELDKMALAPCHAFFQFYVADGKLSCQLYQRSCDVFLGLPFNIAS YALLVHMMAQQCDLEVGDFVWTGGDTHLYSNHMDQTHLQLSREPRPLPKLIIKRKPESIF DYRFEDFEIEGYDPHPGIKAPVAI >795 bp ATGAAACAGTATTTAGAACTGATGCAAAAAGTGCTCGACGAAGGCACACAGAAAAACGAC CGTACCGGAACCGGAACGCTTTCCATTTTTGGTCATCAGATGCGTTTTAACCTGCAAGAT GGATTCCCGCTGGTGACAACTAAACGTTGCCACCTGCGTTCCATCATCCATGAACTGCTG TGGTTTCTGCAGGGCGACACTAACATTGCTTATCTACACGAAAACAATGTCACCATCTGG GACGAATGGGCCGATGAAAACGGCGACCTCGGGCCAGTGTATGGTAAACAGTGGCGCGCC TGGCCAACGCCAGATGGTCGTCATATTGACCAGATCACTACGGTACTGAACCAGCTGAAA AACGACCCGGATTCGCGCCGCATTATTGTTTCAGCGTGGAACGTAGGCGAACTGGATAAA ATGGCGCTGGCACCGTGCCATGCATTCTTCCAGTTCTATGTGGCAGACGGCAAACTCTCT TGCCAGCTTTATCAGCGCTCCTGTGACGTCTTCCTCGGCCTGCCGTTCAACATTGCCAGC TACGCGTTATTGGTGCATATGATGGCGCAGCAGTGCGATCTGGAAGTGGGTGATTTTGTC TGGACCGGTGGCGACACGCATCTGTACAGCAACCATATGGATCAAACTCATCTGCAATTA AGCCGCGAACCGCGTCCGCTGCCGAAGTTGATTATCAAACGTAAACCCGAATCCATCTTC GACTACCGTTTCGAAGACTTTGAGATTGAAGGCTACGATCCGCATCCGGGCATTAAAGCG CCGGTGGCTATCTAA PF00303 Thymidylat_synt function transferase activity function transferase activity, transferring one-carbon groups function methyltransferase activity function 5,10-methylenetetrahydrofolate-dependent methyltransferase activity function thymidylate synthase activity function catalytic activity process metabolism process pyrimidine nucleoside monophosphate biosynthesis process cellular metabolism process pyrimidine deoxyribonucleoside monophosphate biosynthesis process dTMP biosynthesis process nucleobase, nucleoside, nucleotide and nucleic acid metabolism process nucleotide metabolism process physiological process process pyrimidine nucleotide metabolism process pyrimidine nucleotide biosynthesis "
owl:sameAs
drug:EXPT03050

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