Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03830"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"Phosphorylated Dihydropteroate"
|
| rdf:type | |
| drugbank:description |
"
experimental
This compound belongs to the pteroic acids and derivatives. These are compounds that are composed of a pterin with a 4-aminobenzoic acid (or derviative) at the 6 position on the pteridine ring.
Pteroic Acids and Derivatives
Organic Compounds
Heterocyclic Compounds
Pteridines and Derivatives
Pterins and Derivatives
Aminobenzoic Acid Derivatives
Acyl Phosphates
Benzoyl Derivatives
Pyrimidones
Organic Phosphoric Acids
Pyrazines
Primary Aromatic Amines
Carboxylic Acids and Derivatives
Enolates
Polyamines
Secondary Amines
aminobenzoate
benzoic acid or derivative
acetyl-phosphate
benzoyl
pyrimidone
pyrimidine
benzene
primary aromatic amine
organic phosphate
pyrazine
phosphoric acid ester
polyamine
enolate
carboxylic acid derivative
secondary amine
primary amine
amine
organonitrogen compound
logP
0.18
ALOGPS
logS
-2.9
ALOGPS
Water Solubility
5.16e-01 g/l
ALOGPS
logP
-1
ChemAxon
IUPAC Name
[(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}phenyl)carbonyloxy]phosphonic acid
ChemAxon
Traditional IUPAC Name
(4-{[(2-amino-4-oxo-3H-pteridin-6-yl)methyl]amino}phenyl)carbonyloxyphosphonic acid
ChemAxon
Molecular Weight
392.2634
ChemAxon
Monoisotopic Weight
392.06341869
ChemAxon
SMILES
NC1=NC2=NC=C(CNC3=CC=C(C=C3)C(=O)OP(O)(O)=O)N=C2C(=O)N1
ChemAxon
Molecular Formula
C14H13N6O6P
ChemAxon
InChI
InChI=1S/C14H13N6O6P/c15-14-19-11-10(12(21)20-14)18-9(6-17-11)5-16-8-3-1-7(2-4-8)13(22)26-27(23,24)25/h1-4,6,16H,5H2,(H2,23,24,25)(H3,15,17,19,20,21)
ChemAxon
InChIKey
InChIKey=DNKVHXNVVYQUDC-UHFFFAOYSA-N
ChemAxon
Polar Surface Area (PSA)
189.12
ChemAxon
Refractivity
94.52
ChemAxon
Polarizability
35.78
ChemAxon
Rotatable Bond Count
6
ChemAxon
H Bond Acceptor Count
10
ChemAxon
H Bond Donor Count
5
ChemAxon
pKa (strongest acidic)
1.16
ChemAxon
pKa (strongest basic)
1.83
ChemAxon
Physiological Charge
-2
ChemAxon
Number of Rings
3
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
MDDR-Like Rule
true
ChemAxon
PubChem Compound
656948
PubChem Substance
46506900
PDB
PD8
BE0000124
Bifunctional protein FolC
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
Bifunctional protein FolC
Coenzyme transport and metabolism
Conversion of folates to polyglutamate derivatives
folC
None
5.59
45406.0
Escherichia coli (strain K12)
GenBank Gene Database
M32445
GenBank Protein Database
146020
UniProtKB
P08192
UniProt Accession
FOLC_ECOLI
EC 6.3.2.17
Folylpoly-gamma-glutamate synthetase
FPGS
Tetrahydrofolate synthase
>FolC bifunctional protein [Includes: Folylpolyglutamate synthase
MIIKRTPQAASPLASWLSYLENLHSKTIDLGLERVSLVAARLGVLKPAPFVFTVAGTNGK
GTTCRTLESILMAAGYKVGVYSSPHLVRYTERVRVQGQELPESAHTASFAEIESARGDIS
LTYFEYGTLSALWLFKQAQLDVVILEVGLGGRLDATNIVDADVAVVTSIALDHTDWLGPD
RESIGREKAGIFRSEKPAIVGEPEMPSTIADVAQEKGALLQRRGVEWNYSVTDHDWAFSD
AHGTLENLPLPLVPQPNAATALAALRASGLEVSENAIRDGIASAILPGRFQIVSESPRVI
FDVAHNPHAAEYLTGRMKALPKNGRVLAVIGMLHDKDIAGTLAWLKSVVDDWYCAPLEGP
RGATAEQLLEHLGNGKSFDSVAQAWDAAMADAKAEDTVLVCGSFHTVAHVMEVIDARRSG
GK
>1269 bp
ATGATTATCAAACGCACTCCTCAAGCCGCGTCGCCTCTGGCTTCGTGGCTTTCTTATCTG
GAAAACCTGCACAGTAAAACTATCGATCTCGGCCTTGAGCGCGTGAGCCTGGTCGCGGCG
CGTCTTGGCGTCCTGAAACCAGCGCCATTTGTGTTTACCGTTGCGGGTACGAATGGCAAA
GGCACCACCTGCCGTACGCTGGAGTCGATTCTGATGGCGGCAGGGTACAAAGTGGGCGTC
TACAGTTCGCCTCATCTGGTGCGTTATACCGAGCGCGTACGTGTGCAGGGCCAGGAATTG
CCGGAATCGGCCCACACCGCCTCTTTTGCGGAGATTGAATCGGCACGCGGTGATATTTCC
CTGACCTATTTCGAGTACGGTACGCTGTCGGCGTTGTGGCTGTTCAAGCAGGCACAACTT
GACGTGGTGATTCTGGAAGTAGGGCTGGGCGGTCGTCTGGACGCAACCAATATTGTCGAC
GCCGATGTCGCGGTAGTAACCAGTATTGCGCTGGATCATACCGACTGGCTGGGTCCAGAT
CGCGAAAGTATTGGTCGCGAGAAAGCAGGCATCTTCCGCAGCGAAAAACCGGCAATTGTC
GGTGAGCCGGAAATGCCTTCTACCATTGCTGATGTGGCGCAGGAAAAAGGTGCACTGTTA
CAACGTCGGGGCGTTGAGTGGAACTATTCCGTCACCGATCATGACTGGGCGTTTAGCGAT
GCTCACGGCACGCTGGAAAATCTGCCGTTGCCGCTTGTCCCGCAACCGAATGCCGCAACA
GCGCTGGCGGCACTGCGTGCCAGCGGGCTGGAAGTCAGTGAAAATGCCATTCGCGACGGG
ATTGCCAGCGCAATTTTGCCGGGACGTTTCCAGATTGTGAGCGAGTCGCCACGCGTTATT
TTTGATGTCGCGCATAATCCACATGCGGCGGAATATCTCACCGGGCGTATGAAAGCGCTA
CCGAAAAACGGGCGCATGCTGGCGGTTATCGGTATGCTACATGATAAAGATATTGCCGGA
ACTCTGGCCTGGTTGAAAAGCGTGGTTGATGACTGGTATTGTGCGCCACTGGAAGGGCCG
CGCGGTGCCACGGCAGAACAACTGCTTGAGCATTTGGGTAACGGCAAATCATTTGATAGC
GTTGCGCAGGCATGGGATGCCGCAATGGCGGACGCTAAAGCGGAAGACACCGTGCTGGTG
TGTGGTTCTTTCCACACGGTCGCACATGTCATGGAAGTGATTGACGCGAGGAGAAGCGGT
GGCAAGTAA
PF02875
Mur_ligase_C
PF08245
Mur_ligase_M
function
catalytic activity
function
ligase activity, forming carbon-nitrogen bonds
function
acid-amino acid ligase activity
function
nucleotide binding
function
tetrahydrofolylpolyglutamate synthase activity
function
purine nucleotide binding
function
adenyl nucleotide binding
function
ATP binding
function
ligase activity
function
binding
process
folic acid and derivative biosynthesis
process
metabolism
process
cellular metabolism
process
biosynthesis
process
aromatic compound metabolism
process
physiological process
process
folic acid and derivative 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