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 | |
| drugbank: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 |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines2/drugbank_small.nt
The resource does not appear as an object