Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB04047"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"[Pterin-6-Yl Methanyl]-Phosphonophosphate"
|
| rdf:type | |
| drugbank:description |
"
experimental
This compound belongs to the pterins and derivatives. These are polycyclic aromatic compounds containing a pterin moeity, which consist of a pteridine ring bearing a ketone and an amine group to form 2-aminopteridin-4(3H)-one.
Pterins and Derivatives
Organic Compounds
Heterocyclic Compounds
Pteridines and Derivatives
Pterins and Derivatives
Organic Pyrophosphates
Pyrimidones
Primary Aromatic Amines
Pyrazines
Organophosphate Esters
Organic Phosphoric Acids
Polyamines
organic pyrophosphate
pyrimidone
organic phosphate
phosphoric acid ester
primary aromatic amine
pyrazine
pyrimidine
polyamine
amine
primary amine
organonitrogen compound
logP
-1.1
ALOGPS
logS
-1.8
ALOGPS
Water Solubility
5.52e+00 g/l
ALOGPS
logP
-2.4
ChemAxon
IUPAC Name
({[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methoxy](hydroxy)phosphoryl}oxy)phosphonic acid
ChemAxon
Traditional IUPAC Name
[(2-amino-4-oxo-3H-pteridin-6-yl)methoxy(hydroxy)phosphoryl]oxyphosphonic acid
ChemAxon
Molecular Weight
353.1226
ChemAxon
Monoisotopic Weight
352.992635313
ChemAxon
SMILES
NC1=NC2=NC=C(CO[P@](O)(=O)OP(O)(O)=O)N=C2C(=O)N1
ChemAxon
Molecular Formula
C7H9N5O8P2
ChemAxon
InChI
InChI=1S/C7H9N5O8P2/c8-7-11-5-4(6(13)12-7)10-3(1-9-5)2-19-22(17,18)20-21(14,15)16/h1H,2H2,(H,17,18)(H2,14,15,16)(H3,8,9,11,12,13)
ChemAxon
InChIKey
InChIKey=AMDUVUKDRBIVAH-UHFFFAOYSA-N
ChemAxon
Polar Surface Area (PSA)
206.55
ChemAxon
Refractivity
69.86
ChemAxon
Polarizability
26.76
ChemAxon
Rotatable Bond Count
5
ChemAxon
H Bond Acceptor Count
10
ChemAxon
H Bond Donor Count
5
ChemAxon
pKa (strongest acidic)
1.81
ChemAxon
pKa (strongest basic)
0.77
ChemAxon
Physiological Charge
-2
ChemAxon
Number of Rings
2
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
PubChem Compound
151434
PubChem Substance
46507826
PDB
HH2
BE0003133
Dihydropteroate synthase
Bacillus anthracis
unknown
Dihydropteroate synthase
Involved in dihydropteroate synthase activity
folP
None
5.0
30976.0
Bacillus anthracis
GenBank Gene Database
AE016879
UniProtKB
Q81VW8
UniProt Accession
Q81VW8_BACAN
EC 2.5.1.15
>Dihydropteroate synthase
MCSLKWDYDLRCGEYTLNLNEKTLIMGILNVTPDSFSDGGSYNEVDAAVRHAKEMRDEGA
HIIDIGGESTRPGFAKVSVEEEIKRVVPMIQAVSKEVKLPISIDTYKAEVAKQAIEAGAH
IINDIWGAKAEPKIAEVAAHYDVPIILMHNRDNMNYRNLMADMIADLYDSIKIAKDAGVR
DENIILDPGIGFAKTPEQNLEAMRNLEQLNVLGYPVLLGTSRKSFIGHVLDLPVEERLEG
TGATVCLGIEKGCEFVRVHDVKEMSRMAKMMDAMIGKGVK
>843 bp
ATGTGTAGTTTGAAGTGGGATTATGATTTGCGCTGCGGCGAATATACATTGAACTTAAAT
GAAAAAACATTAATTATGGGGATTTTAAATGTAACACCAGATTCGTTTTCTGATGGTGGG
AGTTATAATGAGGTAGATGCTGCAGTGCGCCATGCGAAAGAAATGCGAGATGAAGGTGCT
CATATTATTGATATTGGTGGCGAATCTACTCGTCCGGGTTTTGCTAAAGTATCGGTGGAA
GAAGAAATAAAACGAGTTGTTCCGATGATTCAGGCTGTTTCAAAAGAGGTAAAATTGCCT
ATTTCTATCGACACGTATAAAGCTGAAGTTGCAAAACAAGCAATTGAAGCTGGTGCTCAT
ATTATTAATGATATTTGGGGAGCGAAGGCAGAACCAAAAATCGCTGAAGTTGCAGCTCAT
TACGATGTACCTATTATCTTAATGCACAATCGCGATAACATGAATTATCGCAATTTAATG
GCTGATATGATTGCTGACTTATATGACAGTATTAAAATTGCTAAAGATGCTGGTGTGCGA
GATGAGAATATCATTTTAGACCCGGGTATCGGTTTTGCTAAAACACCTGAACAAAATTTA
GAAGCGATGCGTAATTTAGAACAGTTAAACGTACTAGGTTATCCAGTTCTCTTAGGTACT
TCAAGAAAGTCCTTTATTGGGCATGTGCTAGATTTACCGGTAGAAGAACGTCTTGAGGGA
ACGGGAGCTACCGTTTGTCTTGGTATTGAAAAGGGTTGTGAGTTTGTTCGCGTTCATGAT
GTGAAGGAAATGTCGCGTATGGCTAAGATGATGGATGCGATGATTGGTAAGGGGGTAAAG
TAA
PF00809
Pterin_bind
function
catalytic activity
function
transferase activity
function
transferase activity, transferring alkyl or aryl (other than methyl) groups
function
dihydropteroate synthase activity
process
metabolism
process
cellular metabolism
process
aromatic compound metabolism
process
folic acid and derivative metabolism
process
folic acid and derivative biosynthesis
process
physiological process
BE0001450
2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase
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
2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase
Coenzyme transport and metabolism
ATP + 2-amino-4-hydroxy-6-hydroxymethyl-7,8- dihydropteridine = AMP + (2-amino-4-hydroxy-7,8-dihydropteridin-6- yl)methyl diphosphate
folK
None
5.23
18079.0
Escherichia coli (strain K12)
GenBank Gene Database
L06495
GenBank Protein Database
146013
UniProtKB
P26281
UniProt Accession
HPPK_ECOLI
6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase
7,8-dihydro-6-hydroxymethylpterin-pyrophosphokinase
EC 2.7.6.3
HPPK
PPPK
>2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase
MTVAYIAIGSNLASPLEQVNAALKALGDIPESHILTVSSFYRTPPLGPQDQPDYLNAAVA
LETSLAPEELLNHTQRIELQQGRVRKAERWGPRTLDLDIMLFGNEVINTERLTVPHYDMK
NRGFMLWPLFEIAPELVFPDGEMLRQILHTRAFDKLNKW
>480 bp
ATGACAGTGGCGTATATTGCCATAGGCAGCAATCTGGCCTCTCCGCTGGAGCAGGTCAAT
GCTGCCCTGAAAGCATTAGGCGATATCCCTGAAAGCCACATTCTTACCGTTTCTTCGTTT
TACCGCACCCCACCGCTGGGCCCGCAAGATCAACCCGATTACTTAAACGCAGCCGTGGCG
CTGGAAACCTCTCTTGCACCTGAAGAGCTACTCAATCACACACAGCGTATTGAATTGCAG
CAAGGTCGCGTCCGCAAAGCTGAACGCTGGGGACCACGCACGCTGGATCTCGACATCATG
CTGTTTGGTAATGAAGTGATAAATACTGAACGCCTGACCGTTCCGCACTACGATATGAAG
AATCGTGGATTTATGCTGTGGCCGCTGTTTGAAATCGCGCCGGAGTTGGTGTTTCCTGAT
GGGGAGATGTTGCGTCAAATCTTACATACAAGAGCATTTGACAAATTAAACAAATGGTAA
PF01288
HPPK
function
kinase activity
function
2-amino-4-hydroxy-6-hydroxymethyldihydropteridine diphosphokinase activity
function
catalytic activity
function
transferase activity
function
transferase activity, transferring phosphorus-containing groups
process
aromatic compound metabolism
process
folic acid and derivative metabolism
process
folic acid and derivative biosynthesis
process
physiological process
process
metabolism
process
cellular metabolism
"
|
| 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