Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB04280"
| Predicate | Value (sorted: none) |
|---|---|
| owl:sameAs | |
| ns1:description |
"
experimental
This compound belongs to the pyrimidine 2'-deoxyribonucleoside monophosphates. These are pyrimidine nucleotides with a monophosphate group linked to the ribose moiety lacking an hydroxyl group at position 2.
Pyrimidine 2'-deoxyribonucleoside Monophosphates
Organic Compounds
Organooxygen Compounds
Carbohydrates and Carbohydrate Conjugates
Glycosyl Compounds
Ureides
Pyrimidones
Organic Phosphoric Acids
Organophosphate Esters
Hydropyrimidines
Tetrahydrofurans
Oxolanes
Secondary Alcohols
Tertiary Amines
Polyamines
Ethers
Enamines
pyrimidone
ureide
phosphoric acid ester
organic phosphate
pyrimidine
hydropyrimidine
oxolane
tetrahydrofuran
secondary alcohol
tertiary amine
polyamine
enamine
ether
alcohol
organonitrogen compound
amine
logP
-2.3
ALOGPS
logS
-1.5
ALOGPS
Water Solubility
9.82e+00 g/l
ALOGPS
logP
-1.9
ChemAxon
IUPAC Name
{[(2S,3R,5R)-3-hydroxy-5-[(4S)-4-hydroxy-2-oxo-1,2,3,4-tetrahydropyrimidin-1-yl]oxolan-2-yl]methoxy}phosphonic acid
ChemAxon
Traditional IUPAC Name
[(2S,3R,5R)-3-hydroxy-5-[(4S)-4-hydroxy-2-oxo-3,4-dihydropyrimidin-1-yl]oxolan-2-yl]methoxyphosphonic acid
ChemAxon
Molecular Weight
310.1978
ChemAxon
Monoisotopic Weight
310.056601978
ChemAxon
SMILES
O[C@@H]1C[C@@H](O[C@H]1COP(O)(O)=O)N1C=C[C@H](O)NC1=O
ChemAxon
Molecular Formula
C9H15N2O8P
ChemAxon
InChI
InChI=1S/C9H15N2O8P/c12-5-3-8(11-2-1-7(13)10-9(11)14)19-6(5)4-18-20(15,16)17/h1-2,5-8,12-13H,3-4H2,(H,10,14)(H2,15,16,17)/t5-,6+,7+,8-/m1/s1
ChemAxon
InChIKey
InChIKey=ILSIYJVILUIVPM-VGRMVHKJSA-N
ChemAxon
Polar Surface Area (PSA)
148.79
ChemAxon
Refractivity
62.8
ChemAxon
Polarizability
26.03
ChemAxon
Rotatable Bond Count
4
ChemAxon
H Bond Acceptor Count
7
ChemAxon
H Bond Donor Count
5
ChemAxon
pKa (strongest acidic)
1.23
ChemAxon
pKa (strongest basic)
-3.2
ChemAxon
Physiological Charge
-2
ChemAxon
Number of Rings
2
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
PubChem Compound
46936941
PubChem Substance
46505026
PDB
DDN
BE0001709
Deoxycytidylate deaminase
Enterobacteria phage T4
# 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
Deoxycytidylate deaminase
Nucleotide transport and metabolism
Supplies the nucleotide substrate for thymidylate synthetase
CD
Cytoplasmic
None
7.94
21198.0
Enterobacteria phage T4
GenBank Gene Database
J05172
GenBank Protein Database
215838
UniProtKB
P16006
UniProt Accession
DCTD_BPT4
dCD
dCMP deaminase
EC 3.5.4.12
>Deoxycytidylate deaminase
MKASTVLQIAYLVSQESKCCSWKVGAVIEKNGRIISTGYNGSPAGGVNCCDYAAEQGWLL
NKPKHAIIQGHKPECVSFGSTDRFVLAKEHRSAHSEWSSKNEIHAELNAILFAARNGSSI
EGATMYVTLSPCPDCAKAIAQSGIKKLVYCETYDKNKPGWDDILRNAGIEVFNVPKKNLN
KLNWENINEFCGE
>582 bp
ATGAAAGCGAGTACAGTACTTCAAATTGCATATTTAGTATCGCAGGAATCAAAATGTTGC
TCCTGGAAGGTAGGAGCAGTAATTGAAAAGAATGGACGTATTATTTCTACTGGGTATAAT
GGTTCACCCGCAGGGGGTGTGAACTGTTGTGATTATGCTGCTGAGCAAGGATGGTTGTTG
AATAAGCCTAAACATGCTATCATTCAAGGTCATAAGCCTGAATGCGTATCATTTGGTTCA
ACTGATCGTTTTGTTTTGGCGAAAGAACATCGTAGTGCTCACTCGGAATGGTCATCTAAA
AATGAAATTCATGCTGAACTAAATGCAATTTTGTTTGCTGCACGAAATGGTTCTTCTATT
GAAGGTGCTACTATGTATGTAACACTTTCTCCTTGTCCAGATTGCGCAAAAGCGATAGCT
CAATCTGGTATTAAAAAGCTGGTTTATTGTGAAACATACGACAAAAATAAACCCGGTTGG
GATGATATTCTGCGAAATGCAGGTATTGAAGTGTTTAATGTTCCTAAGAAAAACTTGAAT
AAGTTAAACTGGGAAAATATCAACGAATTCTGTGGTGAATAA
PF00383
dCMP_cyt_deam_1
function
binding
function
catalytic activity
function
hydrolase activity
function
ion binding
function
cation binding
function
transition metal ion binding
function
zinc ion binding
"
|
| rdfs:label |
"((2r,3s,5r)-3-Hydroxy-5-(4-Hydroxy-2-Oxo-3,4-Dihydropyrimidin-1(2h)-Yl)-Tetrahydrofuran-2-Yl)Methyldihydrogen Phosphate"
|
| rdf:type |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines/drugbank_small.nt
The resource does not appear as an object