Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03857"

Predicate	Value (sorted: none)
ns1:description	" experimental This compound belongs to the hexoses. These are monosaccharides in which the sugar unit is a hexose. Hexoses Organic Compounds Organooxygen Compounds Carbohydrates and Carbohydrate Conjugates Monosaccharides Oxanes Secondary Alcohols 1,2-Diols Ethers Primary Alcohols Alkylthiols Polyamines oxane 1,2-diol secondary alcohol primary alcohol polyamine ether alkylthiol alcohol logP -0.41 ALOGPS logS -1.4 ALOGPS Water Solubility 8.09e+00 g/l ALOGPS logP -1 ChemAxon IUPAC Name (2S,3R,4R,5S,6R)-6-(hydroxymethyl)-2,5-disulfanyloxane-3,4-diol ChemAxon Traditional IUPAC Name 1,4-dithio-Î±-D-mannose ChemAxon Molecular Weight 212.287 ChemAxon Monoisotopic Weight 212.017700252 ChemAxon SMILES OC[C@H]1O[C@@H](S)[C@H](O)[C@@H](O)[C@@H]1S ChemAxon Molecular Formula C6H12O4S2 ChemAxon InChI InChI=1S/C6H12O4S2/c7-1-2-5(11)3(8)4(9)6(12)10-2/h2-9,11-12H,1H2/t2-,3-,4-,5-,6+/m1/s1 ChemAxon InChIKey InChIKey=MUOMBPNNVXJUGT-UKFBFLRUSA-N ChemAxon Polar Surface Area (PSA) 69.92 ChemAxon Refractivity 48.35 ChemAxon Polarizability 20.36 ChemAxon Rotatable Bond Count 1 ChemAxon H Bond Acceptor Count 4 ChemAxon H Bond Donor Count 5 ChemAxon pKa (strongest acidic) 8.59 ChemAxon pKa (strongest basic) -3 ChemAxon Physiological Charge 0 ChemAxon Number of Rings 1 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon PubChem Compound 445999 PubChem Substance 46506389 PDB SSG BE0001335 Endoglucanase F Clostridium cellulolyticum (strain ATCC 35319 / DSM 5812 / JCM 6584 / H10) # 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 Endoglucanase F Involved in endoglucanase activity Probable endoglucanase involved in the degradation of cellulose or related beta-glucans celCCF Cytoplasmic None 5.19 80545.0 Clostridium cellulolyticum (strain ATCC 35319 / DSM 5812 / JCM 6584 / H10) GenBank Gene Database U30321 GenBank Protein Database 927292 UniProtKB P37698 UniProt Accession GUNF_CLOCE Cellulase F EC 3.2.1.4 EGCCF Endo-1,4-beta-glucanase F Endoglucanase F precursor >Endoglucanase F precursor MSKNFKRVGAVAVAAAMSLSIMATTSINAASSPANKVYQDRFESMYSKIKDPANGYFSEQ GIPYHSIETLMVEAPDYGHVTTSEAMSYYMWLEAMHGRFSGDFTGFDKSWSVTEQYLIPT EKDQPNTSMSRYDANKPATYAPEFQDPSKYPSPLDTSQPVGRDPINSQLTSAYGTSMLYG MHWILDVDNWYGFGARADGTSKPSYINTFQRGEQESTWETIPQPCWDEHKFGGQYGFLDL FTKDTGTPAKQFKYTNAPDADARAVQATYWADQWAKEQGKSVSTSVGKATKMGDYLRYSF FDKYFRKIGQPSQAGTGYDAAHYLLSWYYAWGGGIDSTWSWIIGSSHNHFGYQNPFAAWV LSTDANFKPKSSNGASDWAKSLDRQLEFYQWLQSAEGAIAGGATNSWNGRYEAVPSGTST FYGMGYVENPVYADPGSNTWFGMQVWSMQRVAELYYKTGDARAKKLLDKWAKWINGEIKF NADGTFQIPSTIDWEGQPDTWNPTQGYTGNANLHVKVVNYGTDLGCASSLANTLTYYAAK SGDETSRQNAQKLLDAMWNNYSDSKGISTVEQRGDYHRFLDQEVFVPAGWTGKMPNGDVI KSGVKFIDIRSKYKQDPEWQTMVAALQAGQVPTQRLHRFWAQSEFAVANGVYAILFPDQG PEKLLGDVNGDETVDAIDLAILKKYLLNSSTTINTANADMNSDNAIDAIDYALLKKALLS IQ >2169 bp ATGAGTAAGAATTTTAAAAGAGTAGGAGCAGTTGCAGTTGCTGCTGCAATGTCATTATCT ATAATGGCAACAACCAGCATAAATGCAGCTTCAAGTCCTGCAAACAAGGTGTACCAGGAT CGTTTTGAATCCATGTACAGCAAGATTAAGGATCCTGCAAACGGATACTTCAGTGAACAG GGAATTCCTTACCACTCAATTGAAACACTGATGGTCGAAGCTCCTGACTACGGACATGTT ACAACAAGTGAAGCTATGTCCTATTATATGTGGTTGGAAGCAATGCACGGAAGATTTTCA GGAGATTTTACAGGTTTTGATAAGTCTTGGTCTGTTACCGAACAGTATTTGATCCCAACA GAAAAGGATCAGCCCAATACAAGTATGAGCAGATATGATGCTAACAAACCGGCTACATAC GCTCCGGAATTTCAGGACCCAAGCAAGTATCCTTCTCCGTTGGATACTAGTCAACCTGTT GGTAGAGATCCAATCAACTCACAATTGACTTCAGCATACGGAACAAGCATGCTGTATGGA ATGCACTGGATACTTGACGTTGATAACTGGTATGGATTTGGAGCAAGAGCTGATGGAACC TCCAAGCCATCATATATCAATACTTTCCAAAGAGGTGAGCAGGAGTCAACTTGGGAAACC ATACCTCAACCATGTTGGGATGAACATAAATTTGGTGGACAGTACGGATTCCTGGATCTC TTTACAAAGGATACAGGTACTCCGGCAAAGCAATTCAAATATACAAATGCTCCAGATGCT GATGCTCGTGCAGTTCAAGCAACTTACTGGGCTGATCAGTGGGCAAAAGAACAAGGTAAG AGCGTAAGTACTAGCGTAGGTAAGGCAACAAAGATGGGTGATTACCTTAGATATTCATTC TTTGATAAGTATTTCAGAAAGATCGGACAACCTTCTCAGGCTGGTACCGGATATGATGCA GCACATTATCTGCTTTCATGGTACTATGCATGGGGTGGTGGAATTGACTCTACCTGGTCT TGGATAATCGGTAGCAGTCATAATCATTTCGGTTACCAGAACCCATTTGCAGCTTGGGTA CTTTCAACAGATGCAAACTTCAAGCCTAAGTCATCAAATGGTGCATCAGACTGGGCAAAG AGTTTGGACAGACAGCTTGAATTCTATCAGTGGTTGCAGTCAGCAGAAGGTGCTATTGCC GGTGGAGCTACAAACTCATGGAACGGACGTTATGAAGCAGTTCCTTCAGGTACATCAACA TTCTATGGAATGGGTTATGTAGAAAACCCTGTATATGCTGACCCAGGTAGTAACACTTGG TTTGGTATGCAGGTATGGTCAATGCAGCGTGTAGCTGAATTGTACTATAAGACTGGCGAT GCCAGAGCTAAGAAACTCTTAGACAAATGGGCAAAATGGATTAATGGCGAAATCAAGTTC AATGCTGACGGAACATTCCAGATTCCTAGCACAATTGATTGGGAAGGACAGCCGGATACT TGGAATCCAACACAGGGATACACCGGAAATGCAAACTTGCATGTTAAAGTTGTTAACTAT GGTACTGACCTAGGTTGTGCTTCTTCACTTGCAAACACATTGACTTACTATGCTGCTAAA TCAGGAGATGAAACTTCAAGGCAGAATGCACAGAAATTACTTGACGCTATGTGGAATAAC TATAGCGATTCAAAGGGTATATCAACTGTTGAACAGCGTGGTGATTACCATAGATTCCTT GATCAGGAAGTTTTTGTACCAGCTGGTTGGACTGGAAAAATGCCTAACGGCGACGTAATC AAATCTGGTGTCAAGTTCATAGACATTCGTTCCAAGTACAAGCAGGATCCTGAATGGCAG ACAATGGTTGCTGCATTACAGGCAGGACAGGTTCCAACTCAGAGATTACACCGTTTCTGG GCTCAGAGTGAATTTGCAGTTGCAAATGGAGTTTATGCAATACTCTTCCCAGATCAAGGT CCAGAAAAATTATTGGGTGATGTAAACGGTGACGAAACTGTAGACGCTATTGACCTTGCT ATACTTAAAAAATATCTTTTAAACAGCAGTACTACAATAAATACTGCAAATGCAGATATG AATAGTGATAATGCTATTGACGCTATTGACTATGCTCTTTTAAAGAAAGCACTTCTTTCT ATCCAATAG PF00404 Dockerin_1 PF02011 Glyco_hydro_48 function ion binding function cation binding function calcium ion binding function hydrolase activity, acting on glycosyl bonds function binding function hydrolase activity, hydrolyzing O-glycosyl compounds function catalytic activity function hydrolase activity process macromolecule metabolism process carbohydrate metabolism process physiological process process polysaccharide metabolism process polysaccharide catabolism process metabolism "
rdf:type	ns1:drugs
rdfs:label	"1,4-Deoxy-1,4-Dithio-Beta-D-Glucopyranose"
owl:sameAs	?:EXPT02958

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

The resource does not appear as an object

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