Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03216"

PredicateValue (sorted: default)
rdfs:label
"(1'r,2's)-9-(2-Hydroxy-3'-Keto-Cyclopenten-1-Yl)Adenine"
rdf:type
drugbank:description
" experimental This compound belongs to the purines and purine derivatives. These are aromatic heterocyclic compounds containing a purine moiety, which is formed a pyrimidine-ring ring fused to an imidazole ring. Purines and Purine Derivatives Organic Compounds Heterocyclic Compounds Imidazopyrimidines Purines and Purine Derivatives Aminopyrimidines and Derivatives Primary Aromatic Amines N-substituted Imidazoles Secondary Alcohols Cyclic Alcohols and Derivatives 1,2-Diols Polyamines aminopyrimidine pyrimidine n-substituted imidazole primary aromatic amine azole imidazole cyclic alcohol 1,2-diol secondary alcohol polyamine amine alcohol primary amine organonitrogen compound logP -0.63 ALOGPS logS -1.5 ALOGPS Water Solubility 6.86e+00 g/l ALOGPS logP -1.2 ChemAxon IUPAC Name (1S,2S,5R)-5-(6-amino-9H-purin-9-yl)cyclopent-3-ene-1,2-diol ChemAxon Traditional IUPAC Name (1S,2S,5R)-5-(6-aminopurin-9-yl)cyclopent-3-ene-1,2-diol ChemAxon Molecular Weight 233.2266 ChemAxon Monoisotopic Weight 233.091274621 ChemAxon SMILES NC1=NC=NC2=C1N=CN2[C@@H]1C=C[C@H](O)[C@H]1O ChemAxon Molecular Formula C10H11N5O2 ChemAxon InChI InChI=1S/C10H11N5O2/c11-9-7-10(13-3-12-9)15(4-14-7)5-1-2-6(16)8(5)17/h1-6,8,16-17H,(H2,11,12,13)/t5-,6+,8+/m1/s1 ChemAxon InChIKey InChIKey=RQPALADHFYHEHK-CHKWXVPMSA-N ChemAxon Polar Surface Area (PSA) 110.08 ChemAxon Refractivity 61.44 ChemAxon Polarizability 22.39 ChemAxon Rotatable Bond Count 1 ChemAxon H Bond Acceptor Count 6 ChemAxon H Bond Donor Count 3 ChemAxon pKa (strongest acidic) 13.19 ChemAxon pKa (strongest basic) 5.09 ChemAxon Physiological Charge 0 ChemAxon Number of Rings 3 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon PubChem Compound 5287610 PubChem Substance 46505345 ChemSpider 1424 PDB ADC BE0001684 Adenosylhomocysteinase Human # 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 Adenosylhomocysteinase Coenzyme transport and metabolism Adenosylhomocysteine is a competitive inhibitor of S- adenosyl-L-methionine-dependent methyl transferase reactions; therefore adenosylhomocysteinase may play a key role in the control of methylations via regulation of the intracellular concentration of adenosylhomocysteine AHCY 20cen-q13.1 Cytoplasm. Melanosome. Note=Identified by mass spectrometry in melanosome fractions from stage I to None 6.29 47717.0 Human HUGO Gene Nomenclature Committee (HGNC) HGNC:343 GenAtlas AHCY GeneCards AHCY GenBank Gene Database M61831 GenBank Protein Database 178277 UniProtKB P23526 UniProt Accession SAHH_HUMAN AdoHcyase EC 3.3.1.1 S-adenosyl-L-homocysteine hydrolase >Adenosylhomocysteinase MSDKLPYKVADIGLAAWGRKALDIAENEMPGLMRMRERYSASKPLKGARIAGCLHMTVET AVLIETLVTLGAEVQWSSCNIFSTQDHAAAAIAKAGIPVYAWKGETDEEYLWCIEQTLYF KDGPLNMILDDGGDLTNLIHTKYPQLLPGIRGISEETTTGVHNLYKMMANGILKVPAINV NDSVTKSKFDNLYGCRESLIDGIKRATDVMIAGKVAVVAGYGDVGKGCAQALRGFGARVI ITEIDPINALQAAMEGYEVTTMDEACQEGNIFVTTTGCIDIILGRHFEQMKDDAIVCNIG HFDVEIDVKWLNENAVEKVNIKPQVDRYRLKNGRRIILLAEGRLVNLGCAMGHPSFVMSN SFTNQVMAQIELWTHPDKYPVGVHFLPKKLDEAVAEAHLGKLNVKLTKLTEKQAQYLGMS CDGPFKPDHYRY >1299 bp ATGTCTGACAAACTGCCCTACAAAGTCGCCGACATCGGCCTGGCTGCCTGGGGACGCAAG GCCCTGGACATTGCTGAGAACGAGATGCCGGGCCTGATGCGTATGCGGGAGCGGTACTCG GCCTCCAAGCCACTGAAGGGCGCCCGCATCGCTGGCTGCCTGCACATGACCGTGGAGACG GCCGTCCTCATTGAGACCCTCGTCACCCTGGGTGCTGAGGTGCAGTGGTCCAGCTGCAAC ATCTTCTCCACCCAGAACCATGCGGCGGCTGCCATTGCCAAGGCTGGCATTCCGGTGTAT GCCTGGAAGGGCGAAACGGACGAGGAGTACCTGTGGTGCATTGAGCAGACCCTGTACTTC AAGGACGGGCCCCTCAACATGATTCTGGACGACGGGGGCGACCTCACCAACCTCATCCAC ACCAAGTACCCGCAGCTTCTGCCAGGCATCCGAGGCATCTCTGAGGAGACCACGACTGGG GTCCACAACCTCTACAAGATGATGGCCAATGGGATCCTCAAGGTGCCTGCCATCAATGTC AATGACTCCGTCACCAAGAGCAAGTTTGACAACCTCTATGGCTGCCGGGAGTCCCTCATA GATGGCATCAAGCGGGCCACAGATGTGATGATTGCCGGCAAGGTAGCGGTGGTAGCAGGC TATGGTGATGTGGGCAAGGGCTGTGCCCAGGCCCTGCGGGGTTTCGGAGCCCGCGTCATC ATCACCGAGATTGACCCCATCAACGCACTGCAGGCTGCCATGGAGGGCTATGAGGTGACC ACCATGGATGAGGCCTGTCAGGAGGGCAACATCTTTGTCACCACCACAGGCTGTATTGAC ATCATCCTTGGCCGGCACTTTGAGCAGATGAAGGATGATGCCATTGTGTGTAACATTGGA CACTTTGACGTGGAGATCGATGTCAAGTGGCTCAACGAGAACGCCGTGGAGAAGGTGAAC ATCAAGCCGCAGGTGGACCGGTATCGGTTGAAGAATGGGCGCCGCATCATCCTGCTGGCC GAGGGTCGGCTGGTCAACCTGGGTTGTGCCATGGGCCACCCCAGCTTCGTGATGAGTAAC TCCTTCACCAACCAGGTGATGGCGCAGATCGAGCTGTGGACCCATCCAGACAAGTACCCC GTTGGGGTTCATTTCCTGCCCAAGAAGCTGGATGAGGCAGTGGCTGAAGCCCACCTGGGC AAGCTGAATGTGAAGTTGACCAAGCTAACTGAGAAGCAAGCCCAGTACCTGGGCATGTCC TGTGATGGCCCCTTCAAGCCGGATCACTACCGCTACTGA PF05221 AdoHcyase PF00670 AdoHcyase_NAD function hydrolase activity, acting on ether bonds function trialkylsulfonium hydrolase activity function adenosylhomocysteinase activity function catalytic activity function hydrolase activity process physiological process process metabolism process cellular metabolism process one-carbon compound metabolism "
owl:sameAs

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