Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03355"

PredicateValue (sorted: default)
rdfs:label
"5'-O-(N-(L-Threonyl)-Sulfamoyl)Adenosine"
rdf:type
drugbank:drugs
drugbank:description
" experimental This compound belongs to the purine nucleosides and analogues. These are compounds comprising a purine base attached to a sugar. Purine Nucleosides and Analogues Organic Compounds Organooxygen Compounds Carbohydrates and Carbohydrate Conjugates Glycosyl Compounds Glycoamino Acids and Derivatives Alpha Amino Acid Amides Pentoses Purines and Purine Derivatives Aminopyrimidines and Derivatives N-substituted Imidazoles Primary Aromatic Amines Oxolanes Sulfuric Acid Amide Esters Tetrahydrofurans Organic Sulfites 1,2-Diols Secondary Alcohols Carboxylic Acid Amides Enolates Polyamines Ethers Monoalkylamines alpha-amino acid amide alpha-amino acid or derivative pentose monosaccharide purine imidazopyrimidine aminopyrimidine pyrimidine primary aromatic amine monosaccharide sulfuric acid amide ester n-substituted imidazole sulfuric acid derivative tetrahydrofuran imidazole azole organic sulfite oxolane carboxamide group 1,2-diol secondary alcohol carboxylic acid derivative ether enolate polyamine amine alcohol primary amine organonitrogen compound primary aliphatic amine logP -1.5 ALOGPS logS -1.9 ALOGPS Water Solubility 5.12e+00 g/l ALOGPS logP -4.6 ChemAxon IUPAC Name (2R,3R)-2-amino-1-[({[(2S,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}sulfonyl)amino]-3-hydroxybutan-1-one ChemAxon Traditional IUPAC Name (2R,3R)-2-amino-1-({[(2S,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxysulfonyl}amino)-3-hydroxybutan-1-one ChemAxon Molecular Weight 447.424 ChemAxon Monoisotopic Weight 447.117231373 ChemAxon SMILES C[C@@H](O)[C@@H](N)C(=O)NS(=O)(=O)OC[C@@H]1O[C@H]([C@H](O)[C@H]1O)N1C=NC2=C1N=CN=C2N ChemAxon Molecular Formula C14H21N7O8S ChemAxon InChI InChI=1S/C14H21N7O8S/c1-5(22)7(15)13(25)20-30(26,27)28-2-6-9(23)10(24)14(29-6)21-4-19-8-11(16)17-3-18-12(8)21/h3-7,9-10,14,22-24H,2,15H2,1H3,(H,20,25)(H2,16,17,18)/t5-,6+,7-,9+,10-,14-/m1/s1 ChemAxon InChIKey InChIKey=UPVAPSGKXAAHBG-UWYIUFELSA-N ChemAxon Polar Surface Area (PSA) 238.03 ChemAxon Refractivity 98.1 ChemAxon Polarizability 41.05 ChemAxon Rotatable Bond Count 6 ChemAxon H Bond Acceptor Count 13 ChemAxon H Bond Donor Count 6 ChemAxon pKa (strongest acidic) 2.71 ChemAxon pKa (strongest basic) 6.32 ChemAxon Physiological Charge -1 ChemAxon Number of Rings 3 ChemAxon Bioavailability 0 ChemAxon MDDR-Like Rule true ChemAxon PubChem Compound 46936651 PubChem Substance 46506859 PDB TSB BE0001579 Threonine--tRNA ligase Shigella flexneri # 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 Threonine--tRNA ligase Translation, ribosomal structure and biogenesis ThrS is also a translational repressor protein, it controls the translation of its own gene by binding to its mRNA thrS Cytoplasm None 6.12 74015.0 Shigella flexneri GenBank Gene Database AE005674 GenBank Protein Database 24051829 UniProtKB P0A8M5 UniProt Accession SYT_SHIFL EC 6.1.1.3 Threonine--tRNA ligase ThrRS >Threonyl-tRNA synthetase MPVITLPDGSQRHYDHAVSPMDVALDIGPGLAKACIAGRVNGELVDACDLIENDAQLSII TAKDEEGLEIIRHSCAHLLGHAIKQLWPHTKMAIGPVIDNGFYYDVDLDRTLTQEDVEAL EKRMHELAEKNYDVIKKKVSWHEARETFANRGESYKVSILDENIAHDDKPGLYFHEEYVD MCRGPHVPNMRFCHHFKLMKTAGAYWRGDSNNKMLQRIYGTAWADKKALNAYLQRLEEAA KRDHRKIGKQLDLYHMQEEAPGMVFWHNDGWTIFRELEVFVRSKLKEYQYQEVKGPFMMD RVLWEKTGHWDNYKDAMFTTSSENREYCIKPMNCPGHVQIFNQGLKSYRDLPLRMAEFGS CHRNEPSGSLHGLMRVRGFTQDDAHIFCTEEQIRDEVNGCIRLVYDMYSTFGFEKIVVKL STRPEKRIGSDEMWDRAEADLAVALEENNIPFEYQLGEGAFYGPKIEFTLYDCLDRAWQC GTVQLDFSLPSRLSASYVGEDNERKVPVMIHRAILGSMERFIGILTEEFAGFFPTWLAPV QVVIMNITDSQSEYVNELTQKLSNAGIRVKADLRNEKIGFKIREHTLRRVPYMLVCGDKE VESGKVAVRTRRGKDLGSMDVNEVIEKLQQEIRSRSLKQLEE >1929 bp ATGCCTGTTATAACTCTTCCTGATGGCAGCCAACGCCATTACGACCACGCTGTAAGCCCC ATGGATGTTGCGCTGGACATTGGTCCAGGTCTGGCGAAAGCCTGTATCGCAGGGCGCGTT AATGGCGAACTGGTTGATGCTTGCGATCTGATTGAAAACGACGCACAACTGTCGATCATT ACCGCCAAAGACGAAGAAGGTCTGGAGATCATTCGTCACTCCTGTGCGCACCTGTTAGGG CATGCGATTAAACAACTTTGGCCGCATACCAAAATGGCAATCGGCCCGGTTATTGACAAC GGTTTTTATTACGACGTTGATCTTGACCGCACGTTAACCCAGGAAGATGTCGAAGCACTC GAGAAGCGGATGCATGAGCTTGCTGAGAAAAACTACGACGTCATTAAGAAGAAAGTCAGC TGGCACGAAGCGCGTGAAACTTTCGCCAACCGTGGGGAGAGCTACAAAGTTTCCATTCTT GACGAAAACATCGCCCATGATGACAAGCCAGGTCTGTACTTCCATGAAGAATATGTCGAT ATGTGCCGCGGTCCGCACGTACCGAACATGCGTTTCTGCCATCATTTCAAACTAATGAAA ACGGCAGGGGCTTACTGGCGTGGCGACAGCAACAACAAAATGTTGCAACGTATTTACGGT ACGGCGTGGGCAGACAAAAAAGCACTTAACGCTTACCTGCAGCGCCTGGAAGAAGCCGCG AAACGCGACCACCGTAAAATCGGTAAACAGCTCGACCTGTACCATATGCAGGAAGAAGCG CCGGGTATGGTATTCTGGCACAACGACGGCTGGACCATCTTCCGTGAACTGGAAGTGTTT GTTCGTTCTAAACTGAAAGAGTACCAGTATCAGGAAGTTAAAGGTCCGTTCATGATGGAC CGTGTCCTGTGGGAAAAAACCGGTCACTGGGACAACTACAAAGATGCAATGTTCACCACA TCTTCTGAGAACCGTGAATACTGCATTAAGCCGATGAACTGCCCGGGTCACGTACAAATT TTCAACCAGGGGCTGAAGTCTTATCGCGATCTGCCGCTGCGTATGGCCGAGTTTGGTAGC TGCCACCGTAACGAGCCGTCAGGTTCGCTGCATGGCCTGATGCGCGTGCGTGGATTTACC CAGGATGACGCGCATATCTTCTGTACTGAAGAACAAATTCGCGATGAAGTTAACGGATGT ATCCGTTTAGTCTATGATATGTACAGCACTTTTGGCTTCGAGAAGATCGTCGTCAAACTC TCCACTCGTCCTGAAAAACGTATTGGCAGCGACGAAATGTGGGATCGTGCTGAGGCGGAC CTGGCGGTTGCGCTGGAAGAAAACAACATCCCGTTTGAATATCAACTGGGTGAAGGCGCT TTCTACGGTCCGAAAATTGAATTTACCCTGTATGACTGCCTCGATCGTGCATGGCAGTGC GGTACAGTACAGCTGGACTTCTCCTTGCCGTCTCGTCTGAGCGCCTCCTATGTGGGCGAA GACAACGAGCGTAAGGTACCGGTAATGATTCACCGCGCAATTCTGGGGTCGATGGAGCGT TTCATCGGTATCCTGACCGAAGAATTCGCTGGTTTCTTCCCGACCTGGCTTGCGCCAGTT CAGGTTGTTATCATGAATATTACCGATTCACAGTCTGAATACGTTAACGAATTGACGCAA AAACTATCAAATGCGGGCATTCGTGTTAAAGCAGACTTGAGAAATGAGAAGATTGGCTTT AAAATCCGCGAGCACACTTTGCGTCGCGTCCCATATATGCTGGTCTGTGGTGATAAAGAG GTGGAATCAGGCAAAGTTGCCGTTCGCACCCGCCGTGGTAAAGACCTGGGAAGCATGGAC GTAAATGAAGTGATCGAGAAGCTGCAACAAGAGATTCGCAGCCGCAGTCTTAAACAATTG GAGGAATAA PF00587 tRNA-synt_2b PF03129 HGTP_anticodon PF02824 TGS PF07973 tRNA_SAD function nucleotide binding function ATP binding function ion binding function threonine-tRNA ligase activity function cation binding function transition metal ion binding function iron ion binding function ligase activity function binding function transporter activity function ligase activity, forming phosphoric ester bonds function electron transporter activity function RNA ligase activity function catalytic activity function tRNA ligase activity function purine nucleotide binding function adenyl nucleotide binding process tRNA aminoacylation for protein translation process macromolecule biosynthesis process protein biosynthesis process threonyl-tRNA aminoacylation process nucleobase, nucleoside, nucleotide and nucleic acid metabolism process physiological process process generation of precursor metabolites and energy process metabolism process electron transport process RNA metabolism process cellular metabolism process tRNA metabolism process macromolecule metabolism process tRNA aminoacylation BE0001923 Threonine--tRNA ligase Staphylococcus aureus (strain MW2) # 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 Threonine--tRNA ligase Translation, ribosomal structure and biogenesis ATP + L-threonine + tRNA(Thr) = AMP + diphosphate + L-threonyl-tRNA(Thr) thrS Cytoplasm None 5.04 74461.0 Staphylococcus aureus (strain MW2) GenBank Gene Database BA000033 GenBank Protein Database 21204795 UniProtKB Q8NW68 UniProt Accession SYT_STAAW EC 6.1.1.3 Threonine--tRNA ligase ThrRS >Threonyl-tRNA synthetase MEQINIQFPDGNKKAFDKGTTTEDIAQSISPGLRKKAVAGKFNGQLVDLTKPLETDGSIE IVTPGSEEALEVLRHSTAHLMAHAIKRLYGNVKFGVGPVIEGGFYYDFDIDQNISSDDFE QIEKTMKQIVNENMKIERKVVSRDEAKELFSNDEYKLELIDAIPEDENVTLYSQGDFTDL CRGVHVPSTAKIKEFKLLSTAGAYWRGDSNNKMLQRIYGTAFFDKKELKAHLQMLEERKE RDHRKIGKELELFTNSQLVGAGLPLWLPNGATIRREIERYIVDKEVSMGYDHVYTPVLAN VDLYKTSGHWDHYQEDMFPPMQLDETESMVLRPMNCPHHMMIYANKPHSYRELPIRIAEL GTMHRYEASGAVSGLQRVRGMTLNDSHIFVRPDQIKEEFKRVVNMIIDVYKDFGFEDYSF RLSYRDPEDKEKYFDDDDMWNKAENMLKEAADELGLSYEEAIGEAAFYGPKLDVQVKTAM GKEETLSTAQLDFLLPERFDLTYIGQDGEHHRPVVIHRGVVSTMERFVAFLTEETKGAFP TWLAPKQVQIIPVNVDLHYDYARQLQDELKSQGVRVSIDDRNEKMGYKIREAQMQKIPYQ IVVGDKEVENNQVNVRQYGSQDQETVEKDEFIWNLVDEIRLKKHR >1938 bp CTATCTATGTTTTTTTAAACGAATTTCATCAACTAGATTCCAGATAAATTCATCTTTTTC AACTGTTTCTTGGTCTTGCGATCCATATTGACGCACATTCACTTGATTATTTTCAACTTC CTTATCCCCAACTACGATTTGATAAGGTATTTTTTGCATTTGAGCTTCTCTAATTTTATA ACCCATTTTTTCATTACGGTCATCAATACTTACACGAACGCCTTGAGATTTCAATTCATC TTGTAATTGGCGCGCATAATCATAATGTAAATCAACGTTAACTGGAATGATTTGAACTTG TTTTGGCGCTAACCAAGTTGGGAATGCACCTTTAGTTTCTTCAGTTAAAAATGCTACAAA TCGTTCCATTGTTGATACAACACCACGATGAATAACAACTGGACGATGATGTTCACCATC TTGACCAATATAAGTTAAATCAAAACGTTCTGGTAATAAGAAATCAAGTTGTGCTGTTGA TAATGTCTCTTCTTTACCCATCGCTGTTTTAACTTGAACATCTAGTTTCGGACCATAGAA TGCCGCTTCACCAATCGCTTCTTCGTACGATAAGCCAAGCTCATCCGCTGCCTCTTTAAG CATATTTTCAGCTTTATTCCACATATCATCATCATCAAAGTACTTTTCTTTATCTTCAGG GTCTCTATAACTTAATCTAAAGCTATAATCCTCGAAACCAAAGTCTTTATACACATCAAT AATCATGTTTACAACGCGTTTGAATTCTTCTTTAATTTGATCAGGTCGAACAAAGATATG TGAATCATTTAAAGTCATACCACGAACACGTTGTAATCCTGATACAGCACCACTTGCTTC ATATCTATGCATCGTTCCTAGCTCAGCGATACGGATAGGTAATTCACGATATGAATGTGG TTTATTCGCATAAATCATCATATGATGTGGACAGTTCATTGGACGTAATACCATAGATTC AGTTTCATCTAACTGCATTGGTGGGAACATATCTTCTTGATAGTGATCCCAGTGACCAGA TGTTTTGTATAAATCAACATTAGCAAGTACTGGTGTATAAACGTGGTCATACCCCATGCT CACCTCTTTATCAACAATGTAACGTTCAATTTCACGTCTAATTGTTGCACCGTTAGGTAA CCATAATGGCAAACCAGCACCAACTAATTGGCTATTTGTGAATAATTCTAACTCTTTACC AATTTTACGATGATCACGTTCTTTACGCTCTTCTAACATTTGTAAATGTGCTTTTAATTC TTTTTTATCAAAGAAAGCAGTACCGTATATACGTTGTAACATTTTGTTGTTACTATCTCC ACGCCAGTATGCACCTGCTGTAGATAATAGTTTAAACTCTTTAATTTTAGCTGTTGATGG AACGTGAACTCCACGACATAAATCAGTAAAATCACCTTGACTATATAATGTTACATTTTC ATCTTCAGGAATCGCGTCGATTAATTCTAATTTGTATTCATCATTGCTGAATAACTCTTT CGCTTCATCTCGTGAAACCACTTTTCGTTCGATTTTCATATTTTCGTTAACGATTTGTTT CATTGTCTTTTCAATTTGTTCAAAGTCATCAGATGAGATGTTTTGGTCAATGTCGAAGTC ATAGTAGAATCCACCTTCTATTACAGGACCTACACCAAATTTAACATTACCATATAACCT TTTAATCGCGTGTGCCATTAAATGTGCAGTAGAATGACGTAATACCTCTAACGCTTCTTC ACTACCTGGTGTCACAATTTCAATTGATCCATCAGTTTCAAGCGGTTTTGTTAAATCTAC AAGTTGCCCGTTAAATTTGCCGGCAACAGCTTTTTTACGTAATCCAGGACTAATTGATTG TGCTATATCTTCAGTAGTAGTACCTTTATCAAACGCCTTTTTATTACCATCTGGAAATTG AATATTAATTTGTTCCAT PF00587 tRNA-synt_2b PF03129 HGTP_anticodon PF02824 TGS PF07973 tRNA_SAD function electron transporter activity function RNA ligase activity function catalytic activity function tRNA ligase activity function purine nucleotide binding function adenyl nucleotide binding function nucleotide binding function ATP binding function ion binding function threonine-tRNA ligase activity function cation binding function transition metal ion binding function iron ion binding function ligase activity function binding function transporter activity function ligase activity, forming phosphoric ester bonds process generation of precursor metabolites and energy process metabolism process electron transport process RNA metabolism process cellular metabolism process tRNA metabolism process macromolecule metabolism process tRNA aminoacylation process tRNA aminoacylation for protein translation process macromolecule biosynthesis process protein biosynthesis process threonyl-tRNA aminoacylation process nucleobase, nucleoside, nucleotide and nucleic acid metabolism process physiological process "
owl:sameAs
drug:EXPT03121

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