Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03186"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"U-Pi-a-Pi"
|
| rdf:type | |
| drugbank: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
Purine Ribonucleoside 3',5'-Bisphosphates
Disaccharide Phosphates
Pyrimidine Nucleosides and Analogues
Other Disaccharides
Organic Pyrophosphates
Purines and Purine Derivatives
Pyrimidones
Aminopyrimidines and Derivatives
Primary Aromatic Amines
Hydropyrimidines
Organophosphate Esters
N-substituted Imidazoles
Organic Phosphoric Acids
Oxolanes
Tetrahydrofurans
Secondary Alcohols
Ethers
Polyamines
pentose disaccharide
disaccharide phosphate
disaccharide
organic pyrophosphate
imidazopyrimidine
purine
aminopyrimidine
pyrimidone
phosphoric acid ester
hydropyrimidine
n-substituted imidazole
organic phosphate
primary aromatic amine
pyrimidine
azole
imidazole
oxolane
tetrahydrofuran
secondary alcohol
polyamine
ether
primary amine
alcohol
organonitrogen compound
amine
logP
-0.57
ALOGPS
logS
-2.2
ALOGPS
Water Solubility
5.12e+00 g/l
ALOGPS
logP
-6.1
ChemAxon
IUPAC Name
{[(2S,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-[({[({[(2S,3R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-2-[(phosphonooxy)methyl]oxolan-3-yl]oxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-4-hydroxyoxolan-3-yl]oxy}phosphonic acid
ChemAxon
Traditional IUPAC Name
[(2S,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-{[({[(2S,3R,5R)-5-(2,4-dioxo-3H-pyrimidin-1-yl)-2-[(phosphonooxy)methyl]oxolan-3-yl]oxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxy]methyl}-4-hydroxyoxolan-3-yl]oxyphosphonic acid
ChemAxon
Molecular Weight
797.3476
ChemAxon
Monoisotopic Weight
797.026132387
ChemAxon
SMILES
NC1=NC=NC2=C1N=CN2[C@@H]1O[C@@H](CO[P@](O)(=O)O[P@@](O)(=O)O[C@@H]2C[C@@H](O[C@H]2COP(O)(O)=O)N2C=CC(=O)NC2=O)[C@H](OP(O)(O)=O)[C@H]1O
ChemAxon
Molecular Formula
C19H27N7O20P4
ChemAxon
InChI
InChI=1S/C19H27N7O20P4/c20-16-13-17(22-6-21-16)26(7-23-13)18-14(28)15(45-48(33,34)35)10(43-18)5-41-49(36,37)46-50(38,39)44-8-3-12(25-2-1-11(27)24-19(25)29)42-9(8)4-40-47(30,31)32/h1-2,6-10,12,14-15,18,28H,3-5H2,(H,36,37)(H,38,39)(H2,20,21,22)(H,24,27,29)(H2,30,31,32)(H2,33,34,35)/t8-,9+,10+,12-,14-,15+,18-/m1/s1
ChemAxon
InChIKey
InChIKey=JIAJERGOUFOENU-WEVDFKDHSA-N
ChemAxon
Polar Surface Area (PSA)
393.53
ChemAxon
Refractivity
153.96
ChemAxon
Polarizability
63.13
ChemAxon
Rotatable Bond Count
14
ChemAxon
H Bond Acceptor Count
19
ChemAxon
H Bond Donor Count
9
ChemAxon
pKa (strongest acidic)
0.68
ChemAxon
pKa (strongest basic)
4.93
ChemAxon
Physiological Charge
-6
ChemAxon
Number of Rings
5
ChemAxon
Bioavailability
0
ChemAxon
MDDR-Like Rule
true
ChemAxon
PubChem Compound
46936598
PubChem Substance
46505448
PDB
PUA
BE0003317
Ribonuclease pancreatic
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
Ribonuclease pancreatic
Involved in nucleic acid binding
Endonuclease that catalyzes the cleavage of RNA on the 3' side of pyrimidine nucleotides. Acts on single stranded and double stranded RNA
RNASE1
14q11.2
Secreted protein
None
8.94
17644.0
Human
HUGO Gene Nomenclature Committee (HGNC)
HGNC:10044
GenAtlas
RNASE1
GenBank Gene Database
D26129
UniProtKB
P07998
UniProt Accession
RNAS1_HUMAN
EC 3.1.27.5
HP-RNase
RIB-1
Ribonuclease pancreatic precursor
RNase 1
RNase A
RNase UpI-1
>Ribonuclease pancreatic
MALEKSLVRLLLLVLILLVLGWVQPSLGKESRAKKFQRQHMDSDSSPSSSSTYCNQMMRR
RNMTQGRCKPVNTFVHEPLVDVQNVCFQEKVTCKNGQGNCYKSNSSMHITDCRLTNGSRY
PNCAYRTSPKERHIIVACEGSPYVPVHFDASVEDST
>471 bp
ATGGCTCTGGAGAAGTCTCTTGTCCGGCTCCTTCTGCTTGTCCTGATACTGCTGGTGCTG
GGCTGGGTCCAGCCTTCCCTGGGCAAGGAATCCCGGGCCAAGAAATTCCAGCGGCAGCAT
ATGGACTCAGACAGTTCCCCCAGCAGCAGCTCCACCTACTGTAACCAAATGATGAGGCGC
CGGAATATGACACAGGGGCGGTGCAAACCAGTGAACACCTTTGTGCACGAGCCCCTGGTA
GATGTCCAGAATGTCTGTTTCCAGGAAAAGGTCACCTGCAAGAACGGGCAGGGCAACTGC
TACAAGAGCAACTCCAGCATGCACATCACAGACTGCCGCCTGACAAACGGCTCCAGGTAC
CCCAACTGTGCATACCGGACCAGCCCGAAGGAGAGACACATCATTGTGGCCTGTGAAGGG
AGCCCATATGTGCCAGTCCACTTTGATGCTTCTGTGGAGGACTCTACCTAA
PF00074
RnaseA
function
hydrolase activity
function
nucleic acid binding
function
hydrolase activity, acting on ester bonds
function
nuclease activity
function
endonuclease activity
function
endoribonuclease activity
function
endoribonuclease activity, producing 3'-phosphomonoesters
function
pancreatic ribonuclease activity
function
binding
function
catalytic activity
"
|
| owl:sameAs |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object