Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB04457"
| Predicate | Value (sorted: none) |
|---|---|
| ns1:description |
"
902-04-5
experimental
This compound belongs to the purine ribonucleoside monophosphates. These are nucleotides consisting of a purine base linked to a ribose to which one monophosphate group is attached.
Purine Ribonucleoside Monophosphates
Organic Compounds
Organooxygen Compounds
Carbohydrates and Carbohydrate Conjugates
Glycosyl Compounds
Pentoses
Hypoxanthines
Pyrimidones
Primary Aromatic Amines
N-substituted Imidazoles
Organic Phosphoric Acids
Organophosphate Esters
Tetrahydrofurans
Oxolanes
Secondary Alcohols
Polyamines
Ethers
pentose monosaccharide
hypoxanthine
imidazopyrimidine
purine
pyrimidone
phosphoric acid ester
organic phosphate
n-substituted imidazole
monosaccharide
primary aromatic amine
pyrimidine
tetrahydrofuran
imidazole
oxolane
azole
secondary alcohol
polyamine
ether
alcohol
primary amine
organonitrogen compound
amine
logP
-1.9
ALOGPS
logS
-2.1
ALOGPS
Water Solubility
2.67e+00 g/l
ALOGPS
logP
-2.8
ChemAxon
IUPAC Name
{[(2R,3S,5R)-5-(2-amino-6-oxo-6,9-dihydro-3H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy}phosphonic acid
ChemAxon
Traditional IUPAC Name
[(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxyphosphonic acid
ChemAxon
Molecular Weight
347.2212
ChemAxon
Monoisotopic Weight
347.063084339
ChemAxon
SMILES
NC1=NC(=O)C2=C(N1)N(C=N2)[C@H]1C[C@H](O)[C@@H](COP(O)(O)=O)O1
ChemAxon
Molecular Formula
C10H14N5O7P
ChemAxon
InChI
InChI=1S/C10H14N5O7P/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(22-6)2-21-23(18,19)20/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1
ChemAxon
InChIKey
InChIKey=LTFMZDNNPPEQNG-KVQBGUIXSA-N
ChemAxon
Polar Surface Area (PSA)
181.52
ChemAxon
Refractivity
73.55
ChemAxon
Polarizability
29.86
ChemAxon
Rotatable Bond Count
4
ChemAxon
H Bond Acceptor Count
10
ChemAxon
H Bond Donor Count
5
ChemAxon
pKa (strongest acidic)
1.21
ChemAxon
pKa (strongest basic)
2.62
ChemAxon
Physiological Charge
-2
ChemAxon
Number of Rings
3
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
ChEBI
16192
PubChem Compound
65059
PubChem Substance
46507156
KEGG Compound
C00362
PDB
DGP
BE0001970
Deoxynucleotide monophosphate kinase
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
Deoxynucleotide monophosphate kinase
Involved in (deoxy)nucleoside-phosphate kinase activity
Acts on dGMP, dTMP and 5-hydroxymethyl-dCMP while excluding dCMP and dAMP
1
None
4.85
27329.0
Enterobacteria phage T4
GenBank Gene Database
X03016
GenBank Protein Database
15387
UniProtKB
P04531
UniProt Accession
DNMK_BPT4
DNK
dNMP kinase
EC 2.7.4.13
Gp1
>Deoxynucleotide monophosphate kinase
MKLIFLSGVKRSGKDTTADFIMSNYSAVKYQLAGPIKDALAYAWGVFAANTDYPCLTRKE
FEGIDYDRETNLNLTKLEVITIMEQAFCYLNGKSPIKGVFVFDDEGKESVNFVAFNKITD
VINNIEDQWSVRRLMQALGTDLIVNNFDRMYWVKLFALDYLDKFNSGYDYYIVPDTRQDH
EMDAARAMGATVIHVVRPGQKSNDTHITEAGLPIRDGDLVITNDGSLEELFSKIKNTLKV
L
>726 bp
ATGAAACTAATCTTTTTAAGCGGTGTAAAGCGTAGTGGAAAAGATACTACTGCTGATTTT
ATCATGAGCAATTATTCTGCAGTTAAATACCAACTTGCTGGTCCTATTAAGGATGCATTG
GCTTATGCATGGGGAGTATTTGCAGCAAACACTGACTATCCTTGCTTAACTCGTAAAGAG
TTTGAAGGAATTGACTATGATCGTGAGACTAATTTAAATCTGACTAAATTAGAAGTAATC
ACGATTATGGAACAAGCATTTTGTTATCTTAATGGTAAAAGCCCAATTAAAGGTGTGTTT
GTTTTTGATGACGAAGGAAAAGAATCAGTTAATTTCGTAGCATTTAATAAGATTACTGAC
GTTATAAATAATATTGAAGATCAATGGTCAGTCCGTCGTCTGATGCAAGCCCTAGGTACG
GATTTGATTGTTAATAACTTCGACCGCATGTACTGGGTAAAATTATTTGCTTTAGATTAT
CTTGATAAATTTAACTCAGGTTATGATTATTATATCGTTCCTGATACCCGTCAAGATCAT
GAAATGGATGCGGCTAGGGCGATGGGTGCTACAGTAATTCATGTAGTTCGTCCTGGTCAA
AAATCCAATGATACACATATTACAGAAGCTGGATTGCCAATTCGTGATGGCGATTTAGTA
ATTACAAACGATGGTTCTCTTGAAGAACTTTTTTCTAAAATTAAAAATACACTAAAGGTA
CTATAA
BE0001438
Thymidylate synthase
Escherichia coli (strain K12)
# 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
Thymidylate synthase
Nucleotide transport and metabolism
Provides the sole de novo source of dTMP for DNA biosynthesis. This protein also binds to its mRNA thus repressing its own translation
thyA
Cytoplasm
None
5.94
30480.0
Escherichia coli (strain K12)
GenBank Gene Database
J01710
GenBank Protein Database
147987
UniProtKB
P0A884
UniProt Accession
TYSY_ECOLI
EC 2.1.1.45
TS
TSase
>Thymidylate synthase
MKQYLELMQKVLDEGTQKNDRTGTGTLSIFGHQMRFNLQDGFPLVTTKRCHLRSIIHELL
WFLQGDTNIAYLHENNVTIWDEWADENGDLGPVYGKQWRAWPTPDGRHIDQITTVLNQLK
NDPDSRRIIVSAWNVGELDKMALAPCHAFFQFYVADGKLSCQLYQRSCDVFLGLPFNIAS
YALLVHMMAQQCDLEVGDFVWTGGDTHLYSNHMDQTHLQLSREPRPLPKLIIKRKPESIF
DYRFEDFEIEGYDPHPGIKAPVAI
>795 bp
ATGAAACAGTATTTAGAACTGATGCAAAAAGTGCTCGACGAAGGCACACAGAAAAACGAC
CGTACCGGAACCGGAACGCTTTCCATTTTTGGTCATCAGATGCGTTTTAACCTGCAAGAT
GGATTCCCGCTGGTGACAACTAAACGTTGCCACCTGCGTTCCATCATCCATGAACTGCTG
TGGTTTCTGCAGGGCGACACTAACATTGCTTATCTACACGAAAACAATGTCACCATCTGG
GACGAATGGGCCGATGAAAACGGCGACCTCGGGCCAGTGTATGGTAAACAGTGGCGCGCC
TGGCCAACGCCAGATGGTCGTCATATTGACCAGATCACTACGGTACTGAACCAGCTGAAA
AACGACCCGGATTCGCGCCGCATTATTGTTTCAGCGTGGAACGTAGGCGAACTGGATAAA
ATGGCGCTGGCACCGTGCCATGCATTCTTCCAGTTCTATGTGGCAGACGGCAAACTCTCT
TGCCAGCTTTATCAGCGCTCCTGTGACGTCTTCCTCGGCCTGCCGTTCAACATTGCCAGC
TACGCGTTATTGGTGCATATGATGGCGCAGCAGTGCGATCTGGAAGTGGGTGATTTTGTC
TGGACCGGTGGCGACACGCATCTGTACAGCAACCATATGGATCAAACTCATCTGCAATTA
AGCCGCGAACCGCGTCCGCTGCCGAAGTTGATTATCAAACGTAAACCCGAATCCATCTTC
GACTACCGTTTCGAAGACTTTGAGATTGAAGGCTACGATCCGCATCCGGGCATTAAAGCG
CCGGTGGCTATCTAA
PF00303
Thymidylat_synt
function
transferase activity
function
transferase activity, transferring one-carbon groups
function
methyltransferase activity
function
5,10-methylenetetrahydrofolate-dependent methyltransferase activity
function
thymidylate synthase activity
function
catalytic activity
process
metabolism
process
pyrimidine nucleoside monophosphate biosynthesis
process
cellular metabolism
process
pyrimidine deoxyribonucleoside monophosphate biosynthesis
process
dTMP biosynthesis
process
nucleobase, nucleoside, nucleotide and nucleic acid metabolism
process
nucleotide metabolism
process
physiological process
process
pyrimidine nucleotide metabolism
process
pyrimidine nucleotide biosynthesis
"
|
| rdfs:label |
"2'-Deoxyguanosine-5'-Monophosphate"
|
| owl:sameAs | |
| 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