Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02365"

Predicate	Value (sorted: none)
owl:sameAs	?:EXPT02592
ns1:description	" 66-71-7 experimental Judith N. Burstyn, Omar Green, Bhavesh A. Gandhi, "BIS(2,9-DI-TERT-BUTYL-1,10-PHENANTHROLINE)COPPER(I) COMPLEXES, METHODS OF SYNTHESIS, AND USES THEROF." U.S. Patent US20080206890, issued August 28, 2008. This compound belongs to the phenanthrolines. These are aromatic polycyclic compounds containing the phenanthroline skeleton, which is a derivative of phenanthrene, and consists of two pyridine rings non-linearly joined by a benzene ring. Phenanthrolines Organic Compounds Heterocyclic Compounds Phenanthrolines Quinolines and Derivatives Pyridines and Derivatives Benzene and Substituted Derivatives Polyamines quinoline benzene pyridine polyamine organonitrogen compound logP 2.31 ALOGPS logS -3.1 ALOGPS Water Solubility 1.32e-01 g/l ALOGPS logP 2.29 ChemAxon IUPAC Name 1,10-phenanthroline ChemAxon Traditional IUPAC Name 1,10-phenanthroline ChemAxon Molecular Weight 180.2053 ChemAxon Monoisotopic Weight 180.068748266 ChemAxon SMILES C1=CC2=CC=C3C=CC=NC3=C2N=C1 ChemAxon Molecular Formula C12H8N2 ChemAxon InChI InChI=1S/C12H8N2/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1/h1-8H ChemAxon InChIKey InChIKey=DGEZNRSVGBDHLK-UHFFFAOYSA-N ChemAxon Polar Surface Area (PSA) 25.78 ChemAxon Refractivity 53.9 ChemAxon Polarizability 19.26 ChemAxon Rotatable Bond Count 0 ChemAxon H Bond Acceptor Count 2 ChemAxon H Bond Donor Count 0 ChemAxon pKa (strongest basic) 4.8 ChemAxon Physiological Charge 0 ChemAxon Number of Rings 3 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon Ghose Filter true ChemAxon Water Solubility 2690 mg/L (at 25 Â°C) YALKOWSKY,SH & DANNENFELSER,RM (1992) Melting Point 117 Â°C PhysProp Boiling Point > 300 Â°C PhysProp logP 1.78 HANSCH,C ET AL. (1995) pKa 4.27 (at 20 Â°C) ALBERT,A ET AL. (1948) ChEBI 476 PubChem Compound 1318 PubChem Substance 46505260 KEGG Compound C00604 ChemSpider 1278 PDB PHN BE0001434 Methyl-accepting chemotaxis protein II Salmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720) # 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 # 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 Methyl-accepting chemotaxis protein II Posttranslational modification, protein turnover, chaperones Chemotactic-signal transducers respond to changes in the concentration of attractants and repellents in the environment, transduce a signal from the outside to the inside of the cell, and facilitate sensory adaptation through the variation of the level of methylation. Attractants increase the level of methylation while repellents decrease the level of methylation, the methyl groups are added by the methyltransferase cheR and removed by the methylesterase cheB tar Cell inner membrane; multi-pass membrane protein 7-33 191-211 4.83 59615.0 Salmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720) GenBank Gene Database J01809 UniProtKB P02941 UniProt Accession MCP2_SALTY Aspartate chemoreceptor protein MCP-II >Methyl-accepting chemotaxis protein II MFNRIRVVTMLMMVLGVFALLQLVSGGLLFSSLQHNQQGFVISNELRQQQSELTSTWDLM LQTRINLSRSAARMMMDASNQQSSAKTDLLQNAKTTLAQAAAHYANFKNMTPLPAMAEAS ANVDEKYQRYQAALAELIQFLDNGNMDAYFAQPTQGMQNALGEALGNYARVSENLYRQTF DQSAHDYRFAQWQLGVLAVVLVLILMVVWFGIRHALLNPLARVITHIREIASGDLTKTLT VSGRNEIGELAGTVEHMQRSLIDTVTQVREGSDAIYSGTSEIAAGNTDLSSRTEQQASAL EETAASMEQLTATVKQNADNARQASQLAQSASETARHGGKVVDGVVNTMHEIADSSKKIA DIISVIDGIAFQTNILALNAAVEAARAGEQGRGFAVVAGEVRNLASRSAQAAKEIKALIE DSVSRVDTGSVLVESAGETMTDIVNAVTRVTDIMGEIASASDEQSRGIDQVALAVSEMDR VTQQNASLVQESAAAAAALEEQASRLTQAVSAFRLASRPLAVNKPEMRLSVNAQSGNTPQ SLAARDDANWETF PF00672 HAMP PF00015 MCPsignal PF02203 TarH component cell component membrane function signal transducer activity function receptor activity function transmembrane receptor activity process cellular process process cell communication process signal transduction process response to stimulus process response to abiotic stimulus process response to chemical stimulus process chemotaxis BE0003355 Metallo-beta-lactamase L1 Pseudomonas maltophilia # 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 Metallo-beta-lactamase L1 Involved in zinc ion binding Has a high activity against imipenem Periplasm (Potential) None 6.92 30801.0 Pseudomonas maltophilia GenBank Gene Database X75074 UniProtKB P52700 UniProt Accession BLA1_STEMA Beta-lactamase type II EC 3.5.2.6 Metallo-beta-lactamase L1 precursor Penicillinase >Metallo-beta-lactamase L1 MRSTLLAFALAVALPAAHTSAAEVPLPQLRAYTVDASWLQPMAPLQIADHTWQIGTEDLT ALLVQTPDGAVLLDGGMPQMASHLLDNMKARGVTPRDLRLILLSHAHADHAGPVAELKRR TGAKVAANAESAVLLARGGSDDLHFGDGITYPPANADRIVMDGEVITVGGIVFTAHFMAG HTPGSTAWTWTDTRNGKPVRIAYADSLSAPGYQLQGNPRYPHLIEDYRRSFATVRALPCD VLLTPHPGASNWDYAAGARAGAKALTCKAYADAAEQKFDGQLAKETAGAR >873 bp ATGCGTTCTACCCTGCTCGCCTTCGCCCTGGCCGTCGCTCTTCCGGCCGCCCACACCAGC GCCGCCGAAGTACCACTGCCGCAGCTGCGGGCCTACACCGTGGACGCCTCGTGGCTGCAG CCGATGGCACCGCTGCAGATCGCCGACCACACCTGGCAGATCGGCACCGAGGACCTGACC GCGCTGCTTGTGCAGACCCCCGACGGCGCGGTGCTGCTCGACGGCGGCATGCCGCAGATG GCCAGCCACCTGCTGGACAACATGAAGGCGCGTGGCGTGACGCCTCGGGATCTGCGGCTG ATCCTGCTCAGCCACGCACACGCCGACCATGCCGGACCGGTGGCGGAGCTGAAGCGCCGT ACGGGCGCCAAAGTGGCGGCCAACGCCGAATCGGCGGTGCTGCTGGCGCGTGGCGGCAGC GATGACCTGCACTTCGGCGATGGCATCACCTACCCGCCTGCCAATGCAGACCGCATCGTC ATGGATGGTGAAGTGATCACGGTGGGCGGCATCGTGTTCACCGCGCACTTCATGGCGGGG CACACCCCGGGCAGCACCGCGTGGACCTGGACCGATACCCGCAATGGCAAGCCGGTGCGC ATCGCCTACGCCGACAGCCTGAGTGCACCGGGCTACCAGCTGCAGGGAAACCCCCGTTAT CCGCACCTGATCGAGGATTACAGGCGCAGCTTCGCGACGGTGCGGGCGCTGCCTTGCGAC GTGTTGCTGACACCGCATCCGGGTGCCAGCAACTGGGACTACGCCGCGGGTGCCAGGGCC GGTGCCAAGGCACTGACCTGCAAGGCCTACGCGGATGCGGCAGAACAGAAATTCGACGGG CAGCTGGCCAAGGAAACGGCCGGGGCCCGCTGA PF00753 Lactamase_B function hydrolase activity function hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds function ion binding function cation binding function transition metal ion binding function zinc ion binding function binding function hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds, in cyclic amides function beta-lactamase activity function catalytic activity process physiological process process drug metabolism process metabolism process antibiotic metabolism process cellular metabolism process antibiotic catabolism "
rdfs:label	"1,10-Phenanthroline"
rdf:type	ns1:drugs

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

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