Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03185"
| Predicate | Value (sorted: none) |
|---|---|
| owl:sameAs | |
| rdf:type | |
| rdfs:label |
"1-Beta-Ribofuranosyl-1,3-Diazepinone"
|
| drugbank:description |
"
experimental
This compound belongs to the glycosylamines. These are compounds consisting of an amine with a β-N-glycosidic bond to a carbohydrate, thus forming a cyclic hemiaminal ether bond (α-aminoether).
Glycosylamines
Organic Compounds
Organooxygen Compounds
Carbohydrates and Carbohydrate Conjugates
Glycosyl Compounds
Pentoses
Ureides
Tetrahydrofurans
Oxolanes
Secondary Alcohols
Tertiary Amines
1,2-Diols
Primary Alcohols
Ethers
Enamines
Polyamines
pentose monosaccharide
ureide
monosaccharide
tetrahydrofuran
oxolane
tertiary amine
1,2-diol
secondary alcohol
primary alcohol
enamine
polyamine
ether
organonitrogen compound
amine
alcohol
logP
-1.4
ALOGPS
logS
-0.12
ALOGPS
Water Solubility
1.83e+02 g/l
ALOGPS
logP
-2
ChemAxon
IUPAC Name
1-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,3-dihydro-1H-1,3-diazepin-2-one
ChemAxon
Traditional IUPAC Name
1-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-1,3-diazepin-2-one
ChemAxon
Molecular Weight
242.2286
ChemAxon
Monoisotopic Weight
242.090271568
ChemAxon
SMILES
OC[C@@H]1O[C@H]([C@H](O)[C@H]1O)N1C=CC=CNC1=O
ChemAxon
Molecular Formula
C10H14N2O5
ChemAxon
InChI
InChI=1S/C10H14N2O5/c13-5-6-7(14)8(15)9(17-6)12-4-2-1-3-11-10(12)16/h1-4,6-9,13-15H,5H2,(H,11,16)/t6-,7-,8+,9+/m0/s1
ChemAxon
InChIKey
InChIKey=MEPCJRCEYSZBDO-RBXMUDONSA-N
ChemAxon
Polar Surface Area (PSA)
102.26
ChemAxon
Refractivity
57.26
ChemAxon
Polarizability
22.73
ChemAxon
Rotatable Bond Count
2
ChemAxon
H Bond Acceptor Count
5
ChemAxon
H Bond Donor Count
4
ChemAxon
pKa (strongest acidic)
10.29
ChemAxon
pKa (strongest basic)
-3
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
2
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
PubChem Compound
46936597
PubChem Substance
46505407
PDB
BRD
BE0002443
Cytidine deaminase
Human
unknown
Cytidine deaminase
Involved in zinc ion binding
This enzyme scavenge exogenous and endogenous cytidine and 2'-deoxycytidine for UMP synthesis
CDA
1p36.2-p35
Cytoplasmic
None
6.95
16185.0
Human
HUGO Gene Nomenclature Committee (HGNC)
HGNC:1712
GenAtlas
CDA
GenBank Gene Database
L27943
UniProtKB
P32320
UniProt Accession
CDD_HUMAN
Cytidine aminohydrolase
EC 3.5.4.5
>Cytidine deaminase
MAQKRPACTLKPECVQQLLVCSQEAKKSAYCPYSHFPVGAALLTQEGRIFKGCNIENACY
PLGICAERTAIQKAVSEGYKDFRAIAIASDMQDDFISPCGACRQVMREFGTNWPVYMTKP
DGTYIVMTVQELLPSSFGPEDLQKTQ
>441 bp
ATGGCCCAGAAGCGTCCTGCCTGCACCCTGAAGCCTGAGTGTGTCCAGCAGCTGCTGGTT
TGCTCCCAGGAGGCCAAGAAGTCAGCCTACTGCCCCTACAGTCACTTTCCTGTGGGGGCT
GCCCTGCTCACCCAGGAGGGGAGAATCTTCAAAGGGTGCAACATAGAAAATGCCTGCTAC
CCGCTGGGCATCTGTGCTGAACGGACCGCTATCCAGAAGGCCGTCTCAGAAGGGTACAAG
GATTTCAGGGCAATTGCTATCGCCAGTGACATGCAAGATGATTTTATCTCTCCATGTGGG
GCCTGCAGGCAAGTCATGAGAGAGTTTGGCACCAACTGGCCCGTGTACATGACCAAGCCG
GATGGTACGTATATTGTCATGACGGTCCAGGAGCTGCTGCCCTCCTCCTTTGGGCCTGAG
GACCTGCAGAAGACTCAGTGA
PF00383
dCMP_cyt_deam_1
function
hydrolase activity
function
hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds
function
ion binding
function
cation binding
function
transition metal ion binding
function
zinc ion binding
function
binding
function
catalytic activity
function
hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds, in cyclic amidines
function
cytidine deaminase activity
process
pyrimidine ribonucleoside metabolism
process
cytidine metabolism
process
nucleobase, nucleoside, nucleotide and nucleic acid metabolism
process
physiological process
process
nucleoside metabolism
process
metabolism
process
cellular metabolism
process
pyrimidine nucleoside metabolism
BE0002443
Cytidine deaminase
Human
unknown
Cytidine deaminase
Involved in zinc ion binding
This enzyme scavenge exogenous and endogenous cytidine and 2'-deoxycytidine for UMP synthesis
CDA
1p36.2-p35
Cytoplasmic
None
6.95
16185.0
Human
HUGO Gene Nomenclature Committee (HGNC)
HGNC:1712
GenAtlas
CDA
GenBank Gene Database
L27943
UniProtKB
P32320
UniProt Accession
CDD_HUMAN
Cytidine aminohydrolase
EC 3.5.4.5
>Cytidine deaminase
MAQKRPACTLKPECVQQLLVCSQEAKKSAYCPYSHFPVGAALLTQEGRIFKGCNIENACY
PLGICAERTAIQKAVSEGYKDFRAIAIASDMQDDFISPCGACRQVMREFGTNWPVYMTKP
DGTYIVMTVQELLPSSFGPEDLQKTQ
>441 bp
ATGGCCCAGAAGCGTCCTGCCTGCACCCTGAAGCCTGAGTGTGTCCAGCAGCTGCTGGTT
TGCTCCCAGGAGGCCAAGAAGTCAGCCTACTGCCCCTACAGTCACTTTCCTGTGGGGGCT
GCCCTGCTCACCCAGGAGGGGAGAATCTTCAAAGGGTGCAACATAGAAAATGCCTGCTAC
CCGCTGGGCATCTGTGCTGAACGGACCGCTATCCAGAAGGCCGTCTCAGAAGGGTACAAG
GATTTCAGGGCAATTGCTATCGCCAGTGACATGCAAGATGATTTTATCTCTCCATGTGGG
GCCTGCAGGCAAGTCATGAGAGAGTTTGGCACCAACTGGCCCGTGTACATGACCAAGCCG
GATGGTACGTATATTGTCATGACGGTCCAGGAGCTGCTGCCCTCCTCCTTTGGGCCTGAG
GACCTGCAGAAGACTCAGTGA
PF00383
dCMP_cyt_deam_1
function
hydrolase activity
function
hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds
function
ion binding
function
cation binding
function
transition metal ion binding
function
zinc ion binding
function
binding
function
catalytic activity
function
hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds, in cyclic amidines
function
cytidine deaminase activity
process
pyrimidine ribonucleoside metabolism
process
cytidine metabolism
process
nucleobase, nucleoside, nucleotide and nucleic acid metabolism
process
physiological process
process
nucleoside metabolism
process
metabolism
process
cellular metabolism
process
pyrimidine nucleoside metabolism
unknown
unknown
"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object