Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB06998"

Predicate	Value (sorted: default)
rdfs:label	"[(5R)-5-(2,3-dibromo-5-ethoxy-4-hydroxybenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid"
rdf:type	drugbank:drugs
drugbank:description	" experimental This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof. Alpha Amino Acids and Derivatives Organic Compounds Organic Acids and Derivatives Carboxylic Acids and Derivatives Amino Acids, Peptides, and Analogues o-Bromophenols m-Bromophenols Phenol Ethers Alkyl Aryl Ethers Bromobenzenes Thiazolidinethiones Thiazolidinones Aryl Bromides Tertiary Carboxylic Acid Amides Tertiary Amines Organic Thiocarbonic Acid Derivatives Polyols Enols Carboxylic Acids Enolates Polyamines Organobromides 3-bromophenol 2-bromophenol 2-halophenol 3-halophenol phenol ether bromobenzene phenol derivative alkyl aryl ether thiazolidinethione aryl halide benzene thiazolidinone aryl bromide tertiary carboxylic acid amide thiazolidine tertiary amine carboxamide group polyol thiocarbonic acid derivative enolate carboxylic acid ether enol polyamine organohalogen organobromide organonitrogen compound amine logP 4.14 ALOGPS logS -4.9 ALOGPS Water Solubility 6.71e-03 g/l ALOGPS logP 3.97 ChemAxon IUPAC Name 2-[(5R)-5-[(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid ChemAxon Traditional IUPAC Name [(5R)-5-[(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid ChemAxon Molecular Weight 499.195 ChemAxon Monoisotopic Weight 496.860189205 ChemAxon SMILES [H][C@]1(CC2=C(Br)C(Br)=C(O)C(OCC)=C2)SC(=S)N(CC(O)=O)C1=O ChemAxon Molecular Formula C14H13Br2NO5S2 ChemAxon InChI InChI=1S/C14H13Br2NO5S2/c1-2-22-7-3-6(10(15)11(16)12(7)20)4-8-13(21)17(5-9(18)19)14(23)24-8/h3,8,20H,2,4-5H2,1H3,(H,18,19)/t8-/m1/s1 ChemAxon InChIKey InChIKey=ABQHPGHMYXJJIV-MRVPVSSYSA-N ChemAxon Polar Surface Area (PSA) 87.07 ChemAxon Refractivity 102.06 ChemAxon Polarizability 40.06 ChemAxon Rotatable Bond Count 6 ChemAxon H Bond Acceptor Count 5 ChemAxon H Bond Donor Count 2 ChemAxon pKa (strongest acidic) 2.3 ChemAxon pKa (strongest basic) -4.9 ChemAxon Physiological Charge -1 ChemAxon Number of Rings 2 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon PubChem Compound 24860533 PubChem Substance 99443469 PDB 322 BE0003771 DNA polymerase III subunit beta Escherichia coli (strain K12) # Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/10592235 unknown DNA polymerase III subunit beta Replication, recombination and repair DNA polymerase III is a complex, multichain enzyme responsible for most of the replicative synthesis in bacteria. This DNA polymerase also exhibits 3' to 5' exonuclease activity. The beta chain is required for initiation of replication once it is clamped onto DNA, it slides freely (bidirectional and ATP- independent) along duplex DNA dnaN Cytoplasm None 5.05 40586.3 Escherichia coli (strain K12) GeneCards dnaN GenBank Gene Database J01602 GenBank Protein Database 145759 UniProtKB P0A988 UniProt Accession DPO3B_ECOLI >DNA polymerase III subunit beta MKFTVEREHLLKPLQQVSGPLGGRPTLPILGNLLLQVADGTLSLTGTDLEMEMVARVALV QPHEPGATTVPARKFFDICRGLPEGAEIAVQLEGERMLVRSGRSRFSLSTLPAADFPNLD DWQSEVEFTLPQATMKRLIEATQFSMAHQDVRYYLNGMLFETEGEELRTVATDGHRLAVC SMPIGQSLPSHSVIVPRKGVIELMRMLDGGDNPLRVQIGSNNIRAHVGDFIFTSKLVDGR FPDYRRVLPKNPDKHLEAGCDLLKQAFARAAILSNEKFRGVRLYVSENQLKITANNPEQE EAEEILDVTYSGAEMEIGFNVSYVLDVLNALKCENVRMMLTDSVSSVQIEDAASQSAAYV VMPMRL >1404 bp ACTTTTGTTCGAGTGGAGTCCGCCGTGTCACTTTCGCTTTGGCAGCAGTGTCTTGCCCGA TTGCAGGATGAGTTACCAGCCACAGAATTCAGTATGTGGATACGCCCATTGCAGGCGGAA CTGAGCGATAACACGCTGGCCCTGTACGCGCCAAACCGTTTTGTCCTCGATTGGGTACGG GACAAGTACCTTAATAATATCAATGGACTGCTAACCAGTTTCTGCGGAGCGGATGCCCCA CAGCTGCGTTTTGAAGTCGGCACCAAACCGGTGACGCAAACGCCACAAGCGGCAGTGACG AGCAACGTCGCGGCCCCTGCACAGGTGGCGCAAACGCAGCCGCAACGTGCTGCGCCTTCT ACGCGCTCAGGTTGGGATAACGTCCCGGCCCCGGCAGAACCGACCTATCGTTCTAACGTA AACGTCAAACACACGTTTGATAACTTCGTTGAAGGTAAATCTAACCAACTGGCGCGCGCG GCGGCTCGCCAGGTGGCGGATAACCCTGGCGGTGCCTATAACCCGTTGTTCCTTTATGGC GGCACGGGTCTGGGTAAAACTCACCTGCTGCATGCGGTGGGTAACGGCATTATGGCGCGC AAGCCGAATGCCAAAGTGGTTTATATGCACTCCGAGCGCTTTGTTCAGGACATGGTTAAA GCCCTGCAAAACAACGCGATCGAAGAGTTTAAACGCTACTACCGTTCCGTAGATGCACTG CTGATCGACGATATTCAGTTTTTTGCTAATAAAGAACGATCTCAGGAAGAGTTTTTCCAC ACCTTCAACGCCCTGCTGGAAGGTAATCAACAGATCATTCTCACCTCGGATCGCTATCCG AAAGAGATCAACGGCGTTGAGGATCGTTTGAAATCCCGCTTCGGTTGGGGACTGACTGTG GCGATCGAACCGCCAGAGCTGGAAACCCGTGTGGCGATCCTGATGAAAAAGGCCGACGAA AACGACATTCGTTTGCCGGGCGAAGTGGCGTTCTTTATCGCCAAGCGTCTACGATCTAAC GTACGTGAGCTGGAAGGGGCGCTGAACCGCGTCATTGCCAATGCCAACTTTACCGGACGG GCGATCACCATCGACTTCGTGCGTGAGGCGCTGCGCGACTTGCTGGCATTGCAGGAAAAA CTGGTCACCATCGACAATATTCAGAAGACGGTGGCGGAGTACTACAAGATCAAAGTCGCG GATCTCCTTTCCAAGCGTCGATCCCGCTCGGTGGCGCGTCCGCGCCAGATGGCGATGGCG CTGGCGAAAGAGCTGACTAACCACAGTCTGCCGGAGATTGGCGATGCGTTTGGTGGCCGT GACCACACGACGGTGCTTCATGCCTGCCGTAAGATCGAGCAGTTGCGTGAAGAGAGCCAC GATATCAAAGAAGATTTTTCAAAT PF00712 DNA_pol3_beta PF02767 DNA_pol3_beta_2 PF02768 DNA_pol3_beta_3 function catalytic activity function nucleotidyltransferase activity function DNA-directed DNA polymerase activity function hydrolase activity function nuclease activity function transferase activity function exonuclease activity function transferase activity, transferring phosphorus-containing groups function 3'-5' exonuclease activity function nucleic acid binding function hydrolase activity, acting on ester bonds function binding function DNA binding process DNA replication process DNA metabolism process metabolism process cellular metabolism process nucleobase, nucleoside, nucleotide and nucleic acid metabolism process physiological process "

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

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