Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03592"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"Pterin-6-Yl-Methyl-Monophosphate"
|
| 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
Pyrimidones
Primary Aromatic Amines
Pyrazines
Organophosphate Esters
Organic Phosphoric Acids
Polyamines
pyrimidone
organic phosphate
pyrimidine
phosphoric acid ester
pyrazine
primary aromatic amine
polyamine
primary amine
amine
organonitrogen compound
logP
-1.6
ALOGPS
logS
-1.6
ALOGPS
Water Solubility
6.53e+00 g/l
ALOGPS
logP
-1.9
ChemAxon
IUPAC Name
[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methoxy]phosphonic acid
ChemAxon
Traditional IUPAC Name
(2-amino-4-oxo-3H-pteridin-6-yl)methoxyphosphonic acid
ChemAxon
Molecular Weight
273.1427
ChemAxon
Monoisotopic Weight
273.026304903
ChemAxon
SMILES
NC1=NC2=NC=C(COP(O)(O)=O)N=C2C(=O)N1
ChemAxon
Molecular Formula
C7H8N5O5P
ChemAxon
InChI
InChI=1S/C7H8N5O5P/c8-7-11-5-4(6(13)12-7)10-3(1-9-5)2-17-18(14,15)16/h1H,2H2,(H2,14,15,16)(H3,8,9,11,12,13)
ChemAxon
InChIKey
InChIKey=AJXFJEHKGGCFNM-UHFFFAOYSA-N
ChemAxon
Polar Surface Area (PSA)
160.02
ChemAxon
Refractivity
58.98
ChemAxon
Polarizability
22.43
ChemAxon
Rotatable Bond Count
3
ChemAxon
H Bond Acceptor Count
8
ChemAxon
H Bond Donor Count
4
ChemAxon
pKa (strongest acidic)
1.63
ChemAxon
pKa (strongest basic)
0.8
ChemAxon
Physiological Charge
-2
ChemAxon
Number of Rings
2
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
PubChem Compound
445462
PubChem Substance
46507091
PDB
PMM
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
BE0001974
Dihydropteroate synthase 1
Mycobacterium tuberculosis
# 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
Dihydropteroate synthase 1
Coenzyme transport and metabolism
DHPS catalyzes the formation of the immediate precursor of folic acid. It is implicated in resistance to sulfonamide
folP1
None
4.94
28843.0
Mycobacterium tuberculosis
GenBank Gene Database
AF117617
GenBank Protein Database
6288739
UniProtKB
P0A578
UniProt Accession
DHPS1_MYCTU
DHPS 1
Dihydropteroate pyrophosphorylase 1
EC 2.5.1.15
>Dihydropteroate synthase 1
MSPAPVQVMGVLNVTDDSFSDGGCYLDLDDAVKHGLAMAAAGAGIVDVGGESSRPGATRV
DPAVETSRVIPVVKELAAQGITVSIDTMRADVARAALQNGAQMVNDVSGGRADPAMGPLL
AEADVPWVLMHWRAVSADTPHVPVRYGNVVAEVRADLLASVADAVAAGVDPARLVLDPGL
GFAKTAQHNWAILHALPELVATGIPVLVGASRKRFLGALLAGPDGVMRPTDGRDTATAVI
SALAALHGAWGVRVHDVRASVDAIKVVEAWMGAERIERDG
>843 bp
GTGAGTCCGGCGCCCGTGCAGGTGATGGGGGTTCTAAACGTCACGGACGACTCTTTCTCG
GACGGCGGGTGTTATCTCGATCTCGACGATGCGGTGAAGCACGGTCTGGCGATGGCAGCC
GCAGGTGCGGGCATCGTCGACGTCGGTGGTGAGTCGAGCCGGCCCGGTGCCACTCGGGTT
GACCCGGCGGTGGAGACGTCTCGTGTCATACCCGTCGTCAAAGAGCTTGCAGCACAAGGC
ATCACCGTCAGCATCGATACCATGCGCGCGGATGTCGCTCGGGCGGCGTTGCAGAACGGT
GCCCAGATGGTCAACGACGTGTCGGGTGGGCGGGCCGATCCGGCGATGGGGCCGCTGTTG
GCCGAGGCCGATGTGCCGTGGGTGTTGATGCACTGGCGGGCGGTATCGGCCGATACCCCG
CATGTGCCTGTGCGCTACGGCAACGTGGTGGCCGAGGTCCGTGCCGACCTGCTGGCCAGC
GTCGCCGACGCGGTGGCCGCAGGCGTCGACCCGGCAAGGCTGGTGCTCGATCCCGGGCTT
GGATTCGCCAAGACGGCGCAACATAATTGGGCGATCTTGCATGCCCTTCCGGAACTGGTC
GCGACCGGAATCCCAGTGCTGGTGGGTGCTTCGCGCAAGCGCTTCCTCGGTGCGTTGTTG
GCCGGGCCCGACGGCGTGATGCGGCCAACCGATGGGCGTGACACCGCGACGGCGGTGATT
TCCGCGCTGGCCGCACTGCACGGGGCCTGGGGTGTGCGGGTGCATGATGTGCGGGCCTCG
GTCGATGCCATCAAGGTGGTCGAAGCGTGGATGGGAGCGGAAAGGATAGAACGCGATGGC
TGA
PF00809
Pterin_bind
function
transferase activity, transferring alkyl or aryl (other than methyl) groups
function
dihydropteroate synthase activity
function
catalytic activity
function
transferase activity
process
folic acid and derivative metabolism
process
folic acid and derivative biosynthesis
process
physiological process
process
metabolism
process
cellular metabolism
process
aromatic compound 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