Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02355"

PredicateValue (sorted: default)
rdfs:label
"Adenosine-5'-Rp-Alpha-Thio-Triphosphate"
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 Organic Pyrophosphates Pentoses Purines and Purine Derivatives Aminopyrimidines and Derivatives Primary Aromatic Amines N-substituted Imidazoles Organic Phosphoric Acids Tetrahydrofurans Oxolanes 1,2-Diols Secondary Alcohols Ethers Polyamines pentose monosaccharide organic pyrophosphate purine imidazopyrimidine aminopyrimidine primary aromatic amine organic phosphate pyrimidine n-substituted imidazole monosaccharide tetrahydrofuran azole oxolane imidazole 1,2-diol secondary alcohol ether polyamine organonitrogen compound amine primary amine alcohol logP -0.46 ALOGPS logS -2.1 ALOGPS Water Solubility 3.71e+00 g/l ALOGPS logP -6 ChemAxon IUPAC Name [({[(R)-{[(2S,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(sulfanyl)phosphoryl]oxy}(hydroxy)phosphoryl)oxy]phosphonic acid ChemAxon Traditional IUPAC Name {[(R)-[(2S,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(sulfanyl)phosphoryl]oxy(hydroxy)phosphoryl}oxyphosphonic acid ChemAxon Molecular Weight 523.247 ChemAxon Monoisotopic Weight 522.972901227 ChemAxon SMILES NC1=NC=NC2=C1N=CN2[C@@H]1O[C@@H](CO[P@](S)(=O)O[P@@](O)(=O)OP(O)(O)=O)[C@H](O)[C@H]1O ChemAxon Molecular Formula C10H16N5O12P3S ChemAxon InChI InChI=1S/C10H16N5O12P3S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(25-10)1-24-30(23,31)27-29(21,22)26-28(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,31)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7+,10+,30+/m0/s1 ChemAxon InChIKey InChIKey=ROYJKVPBJVNHCQ-RYCIEYKCSA-N ChemAxon Polar Surface Area (PSA) 258.9 ChemAxon Refractivity 99.81 ChemAxon Polarizability 40.71 ChemAxon Rotatable Bond Count 8 ChemAxon H Bond Acceptor Count 13 ChemAxon H Bond Donor Count 7 ChemAxon pKa (strongest acidic) 0.69 ChemAxon pKa (strongest basic) 4.99 ChemAxon Physiological Charge -3 ChemAxon Number of Rings 3 ChemAxon Bioavailability 0 ChemAxon MDDR-Like Rule true ChemAxon PubChem Compound 46936362 PubChem Substance 46508000 ChemSpider 11517800 PDB TAT BE0002733 Adenylate cyclase Arthrospira platensis unknown Adenylate cyclase Involved in phosphorus-oxygen lyase activity cyaC Cytoplasmic None 4.74 133925.0 Arthrospira platensis GenBank Gene Database D49692 UniProtKB O32393 UniProt Accession O32393_ARTPT EC 4.6.1.1 >Adenylate cyclase MSSPNRKLKPTILVVDDEPDNLDLLYRTFHREFKVLKAESGPAALKILEEVGEVAVIISD QRMPYMSGTEFLSLTATQYPDSIRIILTGYTDVEDLVEAINSGKVFKYVTKPWKSDELKA IVQQGLETHNVLKSRTEELRLAQKQESLLYEVTSTIRACPNSQEMLQRIVETVGKMFEVS YCLLRSFGVGSDLIGLGAGVSPTKQDITATQGKEWFAYLAEGQNHQNSTTDNISVINNND LELRSLVWETTEVMILSEGLGNDISDHDGPEWQQRRDVYQRADIRSSLIVPLYYRQELLA VLALHHTGSPRNWHEHEVQLAAGVADQAALALSQVRAYEQVRELARREALVNTITNAIRS SLDPQKIFAAITEQLGEALEVDGCALSLWSPGDEYMQCVGLYNAAIKETVVETRPAALSE PDTSTTTNLPLLGVETNQSIESDQSDDLPQSAAPISGNPVLQELIRTRAPVAIADIEQRP DSMVMLPLRSPSKALLVVPLLLDGDIIGSISLRQNHQVRHWQPSEIDMVLLVAAQAALAV QQARLYQKTRQQAERLLEADRLKTEFFQNVSHEFRTPLTLMIGPLETVVNQQQDLSLDQA KIALRNSRRLLRLVNQLLDLQRFDAGRMQPSFRPCDLVEFCQQTVESFKSYCDRKQINLV TNLQSCPQLYLDLERFDKVLYNLLSNAMKFTPTDGTITVSLQPEGNYCRLMVKDTGIGIK QEQLPHLFERFRQAEGSANRSFEGSGLGLALVKELVELHHGRITVESEYGQGTTFTVWLQ MGNLHLPPSPLLDVPAEFDARRAAVELADVEVDLPDVQIDDINLPEVLVADGSASLTDHG QLGSNTVLVVDDNPDLRRYVSMMLQNAGFNAVLAKNGADGFNKAQTYHPDVIVTDLMMPQ VSGLELIRMIRSSPELRGTPIILLTAKADEDTRIEGVERGADAYVSKPFNDRELIAEVRN LQALKAEERRVAHLNKYLTESVLRRFLPESMVKKAAAGDLTLDLRPEPRLITILFSDIVG FTRMSNALQSQGVAELLNEYLGEMTRAVFENQGTVDKFVGDAIMALYGAPEEMSPSEQVR RAIATARQMLVALEKLNQGWQERGLVGRNEVPPVRFRCGIHQGMAVVGLFGSQERSDFTA IGPSVNIAARLQEATAPNSIMVSAMVAQYVPDEEIIKREFLELKGIDEPVMTCVINPNML NQ >3609 bp ATGAGTTCCCCCAACAGAAAATTGAAGCCCACCATATTAGTGGTTGATGATGAGCCAGAT AATTTAGATCTGCTATACCGGACTTTCCATCGGGAATTTAAAGTTCTCAAAGCCGAAAGT GGGCCGGCTGCATTGAAGATCTTAGAAGAGGTGGGGGAAGTAGCAGTAATTATCTCTGAT CAGCGGATGCCCTATATGAGTGGCACAGAGTTTCTCAGTTTGACCGCGACTCAATATCCC GATTCGATCCGCATTATCCTCACTGGTTATACGGATGTTGAAGACCTGGTAGAGGCAATT AACTCCGGTAAGGTGTTTAAATATGTCACTAAACCTTGGAAATCTGATGAACTCAAGGCG ATCGTTCAGCAAGGTTTAGAAACTCATAATGTCCTGAAATCTCGCACAGAGGAACTACGC CTAGCACAAAAACAGGAATCGTTACTTTATGAAGTGACAAGTACCATTCGCGCCTGTCCT AATTCCCAGGAAATGTTGCAGCGCATAGTTGAAACAGTGGGTAAAATGTTTGAGGTGAGC TATTGTCTGCTGCGTTCATTCGGTGTGGGTTCAGACCTGATAGGGCTGGGGGCTGGAGTC AGCCCTACCAAACAGGATATCACTGCTACACAAGGGAAGGAGTGGTTCGCATACTTAGCG GAAGGTCAGAATCATCAAAATTCCACGACAGACAACATCAGCGTTATCAATAATAATGAT CTGGAATTGAGATCCCTGGTTTGGGAAACTACGGAAGTAATGATTCTTTCGGAAGGTTTG GGAAATGATATTTCTGACCACGATGGACCAGAATGGCAGCAGCGACGAGACGTTTACCAA CGTGCAGATATTCGCTCCAGTTTGATAGTGCCTCTGTATTACCGTCAGGAATTGTTGGCG GTTTTGGCGCTGCACCACACGGGATCGCCCCGTAATTGGCATGAACATGAAGTGCAGTTA GCTGCGGGTGTAGCAGATCAGGCGGCTTTGGCATTGTCTCAGGTGCGCGCATACGAGCAG GTGCGAGAATTGGCTCGTAGGGAAGCGCTGGTTAATACGATTACCAATGCTATTCGGTCT AGTCTTGACCCTCAGAAAATTTTTGCGGCTATCACTGAGCAATTGGGGGAGGCTTTGGAG GTTGATGGCTGTGCTTTGTCTCTCTGGAGTCCGGGAGATGAATATATGCAGTGTGTAGGC CTTTATAATGCGGCGATTAAAGAAACAGTAGTAGAGACTAGACCGGCGGCTTTGTCTGAA CCTGATACCAGCACGACGACGAATTTGCCCCTATTGGGGGTAGAAACTAATCAATCCATT GAGTCCGATCAGTCCGATGATTTGCCTCAGTCGGCGGCTCCTATTAGTGGCAACCCGGTG CTTCAGGAATTGATTAGAACTCGCGCTCCGGTGGCGATCGCTGATATCGAACAGCGACCA GACTCGATGGTGATGTTGCCTTTGCGATCGCCTTCTAAGGCTCTATTGGTTGTGCCACTA TTGCTCGATGGTGATATTATTGGCAGCATATCCCTACGCCAAAATCACCAAGTTCGCCAT TGGCAACCCTCCGAAATTGATATGGTCCTGTTGGTGGCAGCCCAAGCCGCTTTGGCGGTA CAGCAGGCTCGTCTATACCAAAAAACACGCCAGCAAGCAGAACGCCTATTAGAAGCCGAC CGCCTCAAAACTGAGTTTTTTCAAAATGTCTCCCACGAGTTTCGCACCCCTTTGACTTTG ATGATAGGTCCTTTGGAAACGGTGGTTAATCAACAGCAGGATCTGTCATTAGACCAAGCG AAAATTGCTCTGCGTAACTCCAGGCGACTATTGCGCTTGGTTAATCAATTATTGGATTTG CAACGGTTTGATGCGGGACGAATGCAGCCCAGTTTTCGCCCCTGTGACCTGGTGGAGTTT TGTCAGCAAACGGTGGAATCATTTAAGTCTTATTGCGATCGCAAACAAATTAATCTAGTT ACCAATTTACAGAGTTGCCCCCAACTTTATCTTGATCTGGAAAGGTTTGATAAAGTCCTT TACAATTTGCTCTCTAATGCCATGAAGTTTACCCCCACCGATGGCACTATTACCGTTAGT CTCCAGCCCGAAGGGAATTATTGCCGTCTTATGGTCAAAGATACCGGGATTGGTATTAAA CAAGAACAACTCCCCCATTTATTTGAACGCTTCCGACAAGCTGAAGGTTCAGCCAATCGC TCCTTTGAGGGGAGTGGCTTGGGATTGGCTCTGGTTAAAGAGTTGGTCGAACTCCATCAT GGTCGCATTACTGTAGAGTCTGAGTATGGTCAGGGAACTACATTTACCGTCTGGCTACAA ATGGGGAATCTTCATCTACCACCCTCGCCTCTCCTTGATGTTCCCGCTGAGTTTGATGCA CGTCGAGCAGCCGTAGAATTGGCTGATGTGGAGGTCGATTTACCAGATGTACAAATTGAC GACATAAATCTGCCGGAGGTTTTGGTTGCTGACGGTTCGGCTTCCCTCACGGACCACGGA CAGTTGGGGTCTAATACTGTCCTGGTGGTGGATGATAACCCCGATTTGCGCCGCTATGTG TCGATGATGTTGCAAAATGCCGGATTTAATGCGGTTTTGGCTAAGAATGGCGCTGATGGT TTTAACAAGGCTCAGACTTATCATCCTGATGTGATTGTTACTGATTTGATGATGCCCCAG GTGTCTGGGTTGGAGTTGATTCGCATGATTCGCTCCTCACCTGAACTTAGGGGAACTCCA ATTATTTTGTTGACTGCTAAGGCTGATGAGGATACCCGCATCGAAGGGGTTGAGCGCGGC GCTGATGCCTATGTTTCTAAGCCTTTTAATGACCGGGAGTTGATAGCTGAGGTCAGGAAT TTACAGGCCCTCAAGGCAGAGGAACGACGGGTAGCCCATTTGAATAAGTATCTGACTGAA TCAGTATTGCGACGGTTTTTGCCGGAGTCTATGGTCAAAAAGGCGGCGGCGGGGGACTTG ACTCTGGATTTGCGCCCGGAACCGAGGCTGATTACCATTTTATTTAGTGATATTGTCGGT TTTACTCGGATGTCTAATGCTCTACAGTCTCAGGGGGTGGCGGAATTGCTTAATGAGTAT TTGGGAGAAATGACTCGGGCGGTTTTTGAGAATCAGGGGACTGTTGACAAGTTTGTAGGA GATGCGATTATGGCTTTGTATGGAGCCCCGGAGGAGATGAGCCCCTCTGAACAAGTCCGA CGCGCGATCGCTACGGCTAGACAAATGTTGGTGGCTCTCGAAAAACTTAACCAGGGTTGG CAGGAACGAGGTTTGGTGGGCCGTAATGAGGTTCCTCCGGTGCGGTTCCGCTGTGGGATT CACCAGGGTATGGCTGTGGTGGGGTTGTTTGGTTCCCAAGAGCGATCGGATTTTACGGCG ATCGGTCCTTCGGTTAATATTGCTGCCCGTCTTCAGGAGGCTACTGCCCCCAACAGCATT ATGGTATCCGCTATGGTGGCTCAGTATGTCCCCGATGAGGAGATTATTAAGCGCGAATTT CTCGAACTTAAAGGCATTGATGAGCCGGTAATGACTTGTGTGATTAACCCAAATATGCTG AATCAGTAA PF01590 GAF PF00211 Guanylate_cyc PF02518 HATPase_c PF00072 Response_reg PF00512 HisKA component cell component membrane function catalytic activity function transferase activity function nucleic acid binding function protein histidine kinase activity function lyase activity function signal transducer activity function two-component sensor molecule activity function DNA binding function phosphorus-oxygen lyase activity function ATP binding function nucleotide binding function transferase activity, transferring phosphorus-containing groups function binding function purine nucleotide binding function two-component response regulator activity function kinase activity function adenyl nucleotide binding function protein kinase activity process regulation of nucleobase, nucleoside, nucleotide and nucleic acid metabolism process phosphate metabolism process intracellular signaling cascade process regulation of transcription process metabolism process phosphorylation process protein amino acid phosphorylation process regulation of transcription, DNA-dependent process cellular metabolism process nucleobase, nucleoside, nucleotide and nucleic acid metabolism process macromolecule metabolism process cellular process process nucleotide metabolism process biopolymer metabolism process two-component signal transduction system (phosphorelay) process cell communication process biopolymer modification process signal transduction process regulation of biological process process protein modification process nucleotide biosynthesis process regulation of physiological process process cyclic nucleotide biosynthesis process regulation of metabolism process physiological process process regulation of cellular metabolism process phosphorus metabolism "
owl:sameAs
drug:EXPT03009

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

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