Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03861"

Predicate	Value (sorted: default)
rdfs:label	"(2r,3r,4s,5r)-2-Acetamido-3,4-Dihydroxy-5-Hydroxymethyl-Piperidinium"
rdf:type	ns1:drugs
ns1:description	" experimental This compound belongs to the aminopiperidines. Aminopiperidines Organic Compounds Heterocyclic Compounds Piperidines Aminopiperidines Secondary Carboxylic Acid Amides Secondary Alcohols 1,2-Diols Primary Alcohols Enolates Dialkylamines Carboxylic Acids Polyamines secondary alcohol 1,2-diol secondary carboxylic acid amide carboxamide group secondary amine secondary aliphatic amine polyamine enolate carboxylic acid carboxylic acid derivative primary alcohol amine alcohol organonitrogen compound logP -1.7 ALOGPS logS -0.56 ALOGPS Water Solubility 5.61e+01 g/l ALOGPS logP -2.9 ChemAxon IUPAC Name N-[(2S,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)piperidin-2-yl]acetamide ChemAxon Traditional IUPAC Name N-[(2S,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)piperidin-2-yl]acetamide ChemAxon Molecular Weight 204.2236 ChemAxon Monoisotopic Weight 204.11100701 ChemAxon SMILES CC(=O)N[C@@H]1NC[C@@H](CO)[C@H](O)[C@H]1O ChemAxon Molecular Formula C8H16N2O4 ChemAxon InChI InChI=1S/C8H16N2O4/c1-4(12)10-8-7(14)6(13)5(3-11)2-9-8/h5-9,11,13-14H,2-3H2,1H3,(H,10,12)/t5-,6-,7+,8-/m0/s1 ChemAxon InChIKey InChIKey=IWVRQJNSUOIUFV-HSNKUXOKSA-N ChemAxon Polar Surface Area (PSA) 101.82 ChemAxon Refractivity 47.63 ChemAxon Polarizability 20.65 ChemAxon Rotatable Bond Count 2 ChemAxon H Bond Acceptor Count 5 ChemAxon H Bond Donor Count 5 ChemAxon pKa (strongest acidic) 12.39 ChemAxon pKa (strongest basic) 7.25 ChemAxon Physiological Charge 1 ChemAxon Number of Rings 1 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon PubChem Compound 46936809 PubChem Substance 46508888 PDB IFG BE0001153 Beta-hexosaminidase subunit beta 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 Beta-hexosaminidase subunit beta Carbohydrate transport and metabolism Responsible for the degradation of GM2 gangliosides, and a variety of other molecules containing terminal N-acetyl hexosamines, in the brain and other tissues HEXB 5q13 Lysosome None 6.75 63112.0 Human HUGO Gene Nomenclature Committee (HGNC) HGNC:4879 GenAtlas HEXB GeneCards HEXB GenBank Gene Database M13519 GenBank Protein Database 179462 UniProtKB P07686 UniProt Accession HEXB_HUMAN Beta-hexosaminidase beta chain precursor Beta-N-acetylhexosaminidase Cervical cancer proto-oncogene 7 EC 3.2.1.52 HCC-7 Hexosaminidase B N-acetyl-beta- glucosaminidase >Beta-hexosaminidase beta chain precursor MELCGLGLPRPPMLLALLLATLLAAMLALLTQVALVVQVAEAARAPSVSAKPGPALWPLP LSVKMTPNLLHLAPENFYISHSPNSTAGPSCTLLEEAFRRYHGYIFGFYKWHHEPAEFQA KTQVQQLLVSITLQSECDAFPNISSDESYTLLVKEPVAVLKANRVWGALRGLETFSQLVY QDSYGTFTINESTIIDSPRFSHRGILIDTSRHYLPVKIILKTLDAMAFNKFNVLHWHIVD DQSFPYQSITFPELSNKGSYSLSHVYTPNDVRMVIEYARLRGIRVLPEFDTPGHTLSWGK GQKDLLTPCYSRQNKLDSFGPINPTLNTTYSFLTTFFKEISEVFPDQFIHLGGDEVEFKC WESNPKIQDFMRQKGFGTDFKKLESFYIQKVLDIIATINKGSIVWQEVFDDKAKLAPGTI VEVWKDSAYPEELSRVTASGFPVILSAPWYLDLISYGQDWRKYYKVEPLDFGGTQKQKQL FIGGEACLWGEYVDATNLTPRLWPRASAVGERLWSSKDVRDMDDAYDRLTRHRCRMVERG IAAQPLYAGYCNHENM >1719 bp GTCCCGAGGCTCCGGCTCGGCAGACCGGGCGGAAAGCAGCCGAGCGGCCATGGAGCTGTG CGGGCTGGGGCTGCCCCGGCCGCCCATGCTGCTGGCGCTGCTGTTGGCGACATGCTGGCG GCGATGTTGGCGCTGCTGACTCAGGTGGCGCTGGTGGTGCAGGTGGCGGAGGCGGCTCGG GCCCCGAGCGTCTCGGCCAAGCCGGGGCCGGCGCTGTGGCCCCTGCCGCTCTCGGTGAAG ATGACCCCGAACCTGCTGCATCTCGCCCCGGAGAACTTCTACATCAGCCACAGCCCCAAT TCCACGGCGGGCCCCTCCTGCACCCTGCTGGAGGAAGCGTTTCGACGATATCATGGCTAT ATTTTTGGTTTCTACAAGTGGCATCATGAACCTGCTGAATTCCAGGCTAAAACCCAGGTT CAGCAACTTCTTGTCTCAATCACCCTTCAGTCAGAGTGTGATGCTTTCCCCAACATATCT TCAGATGAGTCTTATACTTTACTTGTGAAAGAACCAGTGGCTGTCCTTAAGGCCAACAGA GTTTGGGGAGCATTACGAGGTTTAGAGACCTTTAGCCAGTTAGTTTATCAAGATTCTTAT GGAACTTTCACCATCAATGAATCCACCATTATTGATTCTCCAAGGTTTTCTCACAGAGGA ATTTTGATTGATACATCCAGACATTATCTGCCAGTTAAGATTATTCTTAAAACTCTGGAT GCCATGGCTTTTAATAAGTTTAATGTTCTTCACTGGCACATAGTTGATGACCAGTCTTTC CCATATCAGAGCATCACTTTTCCTGAGTTAAGCAATAAAGGAAGCTATTCTTTGTCTCAT GTTTATACACCAAATGATGTCCGTATGGTGATTGAATATGCCAGATTACGAGGAATTCGA GTCCTGCCAGAATTTGATACCCCTGGGCATACACTATCTTGGGGAAAAGGTCAGAAAGAC CTCCTGACTCCATGTTACAGTAGACAAAACAAGTTGGACTCTTTTGGACCTATAAACCCT ACTCTGAATACAACATACAGCTTCCTTACTACATTTTTCAAAGAAATTAGTGAGGTGTTT CCAGATCAATTCATTCATTTGGGAGGAGATGAAGTGGAATTTAAATGTTGGGAATCAAAT CCAAAAATTCAAGATTTCATGAGGCAAAAAGGCTTTGGCACAGATTTTAAGAAACTAGAA TCTTTCTACATTCAAAAGGTTTTGGATATTATTGCAACCATAAACAAGGGATCCATTGTC TGGCAGGAGGTTTTTGATGATAAAGCAAAGCTTGCGCCGGGCACAATAGTTGAAGTATGG AAAGACAGCGCATATCCTGAGGAACTCAGTAGAGTCACAGCATCTGGCTTCCCTGTAATC CTTTCTGCTCCTTGGTACTTAGATTTGATTAGCTATGGACAAGATTGGAGGAAATACTAT AAAGTGGAACCTCTTGATTTTGGCGGTACTCAGAAACAGAAACAACTTTTCATTGGTGGA GAAGCTTGTCTATGGGGAGAATATGTGGATGCAACTAACCTCACTCCAAGATTATGGCCT CGGGCAAGTGCTGTTGGTGAGAGACTCTGGAGTTCCAAAGATGTCAGAGATATGGATGAC GCCTATGACAGACTGACAAGGCACCGCTGCAGGATGGTCGAACGTGGAATAGCTGCACAA CCTCTTTATGCTGGATATTGTAACCATGAGAACATGTAA PF00728 Glyco_hydro_20 PF02838 Glyco_hydro_20b function hydrolase activity function hydrolase activity, acting on glycosyl bonds function hydrolase activity, hydrolyzing O-glycosyl compounds function hexosaminidase activity function beta-N-acetylhexosaminidase activity function catalytic activity process metabolism process macromolecule metabolism process carbohydrate metabolism process physiological process BE0003196 Calcium-activated potassium channel subunit beta-2 Human unknown Calcium-activated potassium channel subunit beta-2 Involved in calcium-activated potassium channel activity Regulatory subunit of the calcium activated potassium KCNMA1 (maxiK) channel. Modulates the calcium sensitivity and gating kinetics of KCNMA1, thereby contributing to KCNMA1 channel diversity. Acts as a negative regulator that confers rapid and complete inactivation of KCNMA1 channel complex. May participate in KCNMA1 inactivation in chromaffin cells of the adrenal gland or in hippocampal CA1 neurons KCNMB2 3q26.2-q27.1 Membrane 47-67 195-215 8.47 27130.0 Human HUGO Gene Nomenclature Committee (HGNC) HGNC:6286 GenAtlas KCNMB2 GenBank Gene Database AF099137 UniProtKB Q9Y691 UniProt Accession KCMB2_HUMAN BK channel subunit beta 2 BKbeta2 Calcium-activated potassium channel, subfamily M subunit beta 2 Charybdotoxin receptor subunit beta 2 Hbeta2 Hbeta3 K(VCA)beta 2 Maxi K channel subunit beta 2 Slo-beta 2 >Calcium-activated potassium channel subunit beta 2 MFIWTSGRTSSSYRHDEKRNIYQKIRDHDLLDKRKTVTALKAGEDRAILLGLAMMVCSIM MYFLLGITLLRSYMQSVWTEESQCTLLNASITETFNCSFSCGPDCWKLSQYPCLQVYVNL TSSGEKLLLYHTEETIKINQKCSYIPKCGKNFEESMSLVNVVMENFRKYQHFSCYSDPEG NQKSVILTKLYSSNVLFHSLFWPTCMMAGGVAIVAMVKLTQYLSLLCERIQRINR >708 bp ATGTTTATATGGACCAGTGGCCGGACCTCTTCATCTTATAGACATGATGAAAAAAGAAAT ATTTACCAGAAAATCAGGGACCATGACCTCCTGGACAAAAGGAAAACAGTCACAGCACTG AAGGCAGGAGAGGACCGAGCTATTCTCCTGGGACTGGCTATGATGGTGTGCTCCATCATG ATGTATTTTCTGCTGGGAATCACACTCCTGCGCTCATACATGCAGAGCGTGTGGACCGAA GAGTCTCAATGCACCTTGCTGAATGCGTCCATCACGGAAACATTTAACTGCTCCTTCAGC TGTGGTCCAGACTGCTGGAAACTTTCTCAGTACCCCTGCCTCCAGGTGTACGTTAACCTG ACTTCTTCCGGGGAAAAGCTCCTCCTCTACCACACAGAAGAGACAATAAAAATCAATCAG AAGTGCTCCTATATACCTAAATGTGGAAAAAATTTTGAAGAATCCATGTCCCTGGTGAAT GTTGTCATGGAAAACTTCAGGAAGTATCAACACTTCTCCTGCTATTCTGACCCAGAAGGA AACCAGAAGAGTGTTATCCTAACCAAACTCTACAGTTCCAACGTGCTGTTCCATTCACTC TTCTGGCCAACCTGTATGATGGCTGGGGGTGTGGCAATTGTTGCCATGGTGAAACTTACA CAGTACCTCTCCCTACTATGTGAGAGGATCCAACGGATCAATAGATAA PF03185 CaKB PF09303 KcnmB2_inactiv component cell component membrane function transporter activity function potassium channel activity function calcium-activated potassium channel activity function ion transporter activity function ion channel activity function cation channel activity process potassium ion transport process transport process ion transport process cation transport process monovalent inorganic cation transport process physiological process process cellular physiological process "
owl:sameAs	?:EXPT01846

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

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