Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03478"
| Predicate | Value (sorted: none) |
|---|---|
| rdf:type | |
| ns1:description |
"
experimental
This compound belongs to the purine ribonucleoside diphosphates. These are purine ribobucleotides with diphosphate group linked to the ribose moiety.
Purine Ribonucleoside Diphosphates
Organic Compounds
Organooxygen Compounds
Carbohydrates and Carbohydrate Conjugates
Glycosyl Compounds
Disaccharide Phosphates
Other Disaccharides
Organic Pyrophosphates
Purines and Purine Derivatives
Aminopyrimidines and Derivatives
N-substituted Imidazoles
Primary Aromatic Amines
Organophosphate Esters
Organic Phosphoric Acids
Tetrahydrofurans
Oxolanes
Hemiacetals
Secondary Alcohols
Carboxylic Acid Esters
1,2-Diols
Enolates
Polyamines
pentose disaccharide
disaccharide phosphate
disaccharide
organic pyrophosphate
purine
imidazopyrimidine
aminopyrimidine
primary aromatic amine
phosphoric acid ester
n-substituted imidazole
organic phosphate
pyrimidine
tetrahydrofuran
imidazole
oxolane
azole
carboxylic acid ester
hemiacetal
secondary alcohol
1,2-diol
polyamine
enolate
carboxylic acid derivative
ether
organonitrogen compound
amine
primary amine
alcohol
logP
-1.7
ALOGPS
logS
-2.2
ALOGPS
Water Solubility
3.54e+00 g/l
ALOGPS
logP
-6.2
ChemAxon
IUPAC Name
{[(2R,3R,4S,5S)-4-(acetyloxy)-3,5-dihydroxyoxolan-2-yl]methoxy}[({[(2S,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphinic acid
ChemAxon
Traditional IUPAC Name
[(2R,3R,4S,5S)-4-(acetyloxy)-3,5-dihydroxyoxolan-2-yl]methoxy({[(2S,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy)phosphinic acid
ChemAxon
Molecular Weight
601.3524
ChemAxon
Monoisotopic Weight
601.082238179
ChemAxon
SMILES
CC(=O)O[C@@H]1[C@@H](O)O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)OC[C@@H]2O[C@H]([C@H](O)[C@H]2O)N2C=NC3=C2N=CN=C3N)[C@H]1O
ChemAxon
Molecular Formula
C17H25N5O15P2
ChemAxon
InChI
InChI=1S/C17H25N5O15P2/c1-6(23)34-13-11(25)8(36-17(13)27)3-33-39(30,31)37-38(28,29)32-2-7-10(24)12(26)16(35-7)22-5-21-9-14(18)19-4-20-15(9)22/h4-5,7-8,10-13,16-17,24-27H,2-3H2,1H3,(H,28,29)(H,30,31)(H2,18,19,20)/t7-,8+,10-,11+,12+,13-,16+,17-/m0/s1
ChemAxon
InChIKey
InChIKey=BFNOPXRXIQJDHO-BVNNLCGGSA-N
ChemAxon
Polar Surface Area (PSA)
297.59
ChemAxon
Refractivity
120.27
ChemAxon
Polarizability
50.51
ChemAxon
Rotatable Bond Count
11
ChemAxon
H Bond Acceptor Count
15
ChemAxon
H Bond Donor Count
7
ChemAxon
pKa (strongest acidic)
1.86
ChemAxon
pKa (strongest basic)
5
ChemAxon
Physiological Charge
-2
ChemAxon
Number of Rings
4
ChemAxon
Bioavailability
0
ChemAxon
MDDR-Like Rule
true
ChemAxon
PubChem Compound
46936692
PubChem Substance
46505222
PDB
OAD
BE0003362
NAD-dependent protein deacylase sirtuin-5, mitochondrial
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
# 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
NAD-dependent protein deacylase sirtuin-5, mitochondrial
Involved in DNA binding
Probable NAD-dependent deacetylase (By similarity)
SIRT5
6p23
Cytoplasmic
None
8.55
33881.0
Human
HUGO Gene Nomenclature Committee (HGNC)
HGNC:14933
GenAtlas
SIRT5
GenBank Gene Database
AF083110
UniProtKB
Q9NXA8
UniProt Accession
SIR5_HUMAN
EC 3.5.1.-
SIR2-like protein 5
>NAD-dependent deacetylase sirtuin-5
MRPLQIVPSRLISQLYCGLKPPASTRNQICLKMARPSSSMADFRKFFAKAKHIVIISGAG
VSAESGVPTFRGAGGYWRKWQAQDLATPLAFAHNPSRVWEFYHYRREVMGSKEPNAGHRA
IAECETRLGKQGRRVVVITQNIDELHRKAGTKNLLEIHGSLFKTRCTSCGVVAENYKSPI
CPALSGKGAPEPGTQDASIPVEKLPRCEEAGCGGLLRPHVVWFGENLDPAILEEVDRELA
HCDLCLVVGTSSVVYPAAMFAPQVAARGVPVAEFNTETTPATNRFRFHFQGPCGTTLPEA
LACHENETVS
>933 bp
ATGCGACCTCTCCAGATTGTCCCAAGTCGATTGATTTCCCAGCTATATTGTGGCCTGAAG
CCTCCAGCGTCCACACGAAACCAGATTTGCCTGAAAATGGCTCGGCCAAGTTCAAGTATG
GCAGATTTTCGAAAGTTTTTTGCAAAAGCAAAGCACATAGTCATCATCTCAGGAGCTGGT
GTTAGTGCAGAAAGTGGTGTTCCGACCTTCAGAGGAGCTGGAGGTTATTGGAGAAAATGG
CAAGCCCAGGACCTGGCGACTCCCCTGGCCTTTGCCCACAACCCGTCCCGGGTGTGGGAG
TTCTACCACTACCGGCGGGAGGTCATGGGGAGCAAGGAGCCCAACGCCGGGCACCGCGCC
ATAGCCGAGTGTGAGACCCGGCTGGGCAAGCAGGGCCGGCGAGTCGTGGTCATCACCCAG
AACATCGATGAGCTGCACCGCAAGGCTGGCACCAAGAACCTTCTGGAGATCCATGGTAGC
TTATTTAAAACTCGATGTACCTCTTGTGGAGTTGTGGCTGAGAATTACAAGAGTCCAATT
TGTCCAGCTTTATCAGGAAAAGGTGCTCCAGAACCTGGAACTCAAGATGCCAGCATCCCA
GTTGAGAAACTTCCCCGGTGTGAAGAGGCAGGCTGCGGGGGCTTGCTGCGACCTCACGTC
GTGTGGTTTGGAGAAAACCTGGATCCTGCCATTCTGGAGGAGGTTGACAGAGAGCTCGCC
CACTGTGATTTATGTCTAGTGGTGGGCACTTCCTCTGTGGTGTACCCAGCAGCCATGTTT
GCCCCCCAGGTGGCTGCCAGGGGCGTGCCAGTGGCTGAATTTAACACGGAGACCACCCCA
GCTACGAACAGATTCAGGTTTCATTTCCAGGGACCCTGTGGAACGACTCTTCCTGAAGCC
CTTGCCTGTCATGAAAATGAAACTGTTTCTTAA
PF02146
SIR2
component
protein complex
component
chromatin remodeling complex
component
chromatin silencing complex
function
nucleic acid binding
function
DNA binding
function
binding
process
regulation of nucleobase, nucleoside, nucleotide and nucleic acid metabolism
process
metabolism
process
regulation of transcription
process
cellular metabolism
process
regulation of transcription, DNA-dependent
process
gene silencing
process
chromatin silencing
process
nucleobase, nucleoside, nucleotide and nucleic acid metabolism
process
regulation of biological process
process
regulation of physiological process
process
regulation of metabolism
process
regulation of cellular metabolism
process
physiological process
"
|
| owl:sameAs | |
| rdfs:label |
"2'-O-Acetyl Adenosine-5-Diphosphoribose"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines/drugbank_small.nt
The resource does not appear as an object