Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02540"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"(10S)-10-Formyl-5,8,10-Trideazafolic Acid"
|
| rdf:type | |
| ns1:description |
"
experimental
This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
Stilbenes
Organic Compounds
Phenylpropanoids and Polyketides
Stilbenes
Hippuric Acid Derivatives
N-acyl-alpha Amino Acids
Quinazolinamines
Phenylpropanoic Acids
Bicyclic Monoterpenes
Aromatic Monoterpenes
Phenylacetic Acid Derivatives
Tricarboxylic Acids and Derivatives
Benzoyl Derivatives
Amino Fatty Acids
Primary Aromatic Amines
Pyrimidines and Pyrimidine Derivatives
Polyols
Secondary Carboxylic Acid Amides
Carboxylic Acids
Enolates
Polyamines
3-phenylpropanoic-acid
quinazolinamine
aromatic monoterpene
quinazoline
phenylacetate
monoterpene
bicyclic monoterpene
p-cymene
alpha-amino acid or derivative
tricarboxylic acid derivative
benzamide
benzoyl
primary aromatic amine
benzene
pyrimidine
secondary carboxylic acid amide
polyol
carboxamide group
enolate
carboxylic acid derivative
carboxylic acid
polyamine
organonitrogen compound
primary amine
amine
logP
0.73
ALOGPS
logS
-4.1
ALOGPS
Water Solubility
3.92e-02 g/l
ALOGPS
logP
-0.14
ChemAxon
IUPAC Name
(2R)-2-({4-[(1R)-2-(2-amino-4-oxo-3,4-dihydroquinazolin-6-yl)-1-carboxyethyl]phenyl}formamido)pentanedioic acid
ChemAxon
Traditional IUPAC Name
(2R)-2-({4-[(1R)-2-(2-amino-4-oxo-3H-quinazolin-6-yl)-1-carboxyethyl]phenyl}formamido)pentanedioic acid
ChemAxon
Molecular Weight
482.4428
ChemAxon
Monoisotopic Weight
482.1437637
ChemAxon
SMILES
NC1=NC2=CC=C(C[C@@H](C(O)=O)C3=CC=C(C=C3)C(=O)N[C@H](CCC(O)=O)C(O)=O)C=C2C(=O)N1
ChemAxon
Molecular Formula
C23H22N4O8
ChemAxon
InChI
InChI=1S/C23H22N4O8/c24-23-26-16-6-1-11(10-15(16)20(31)27-23)9-14(21(32)33)12-2-4-13(5-3-12)19(30)25-17(22(34)35)7-8-18(28)29/h1-6,10,14,17H,7-9H2,(H,25,30)(H,28,29)(H,32,33)(H,34,35)(H3,24,26,27,31)/t14-,17-/m1/s1
ChemAxon
InChIKey
InChIKey=DAOQLLQRJAXMGY-RHSMWYFYSA-N
ChemAxon
Polar Surface Area (PSA)
208.48
ChemAxon
Refractivity
122.11
ChemAxon
Polarizability
46.33
ChemAxon
Rotatable Bond Count
10
ChemAxon
H Bond Acceptor Count
10
ChemAxon
H Bond Donor Count
6
ChemAxon
pKa (strongest acidic)
2.75
ChemAxon
pKa (strongest basic)
5.23
ChemAxon
Physiological Charge
-3
ChemAxon
Number of Rings
3
ChemAxon
Bioavailability
0
ChemAxon
MDDR-Like Rule
true
ChemAxon
PubChem Compound
46936419
PubChem Substance
46507892
PDB
NHS
BE0001476
Phosphoribosylglycinamide formyltransferase
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
Phosphoribosylglycinamide formyltransferase
Nucleotide transport and metabolism
10-formyltetrahydrofolate + 1-N-(5-phospho-D- ribosyl)glycinamide = tetrahydrofolate + 2-N-formyl-1-N-(5- phospho-D-ribosyl)glycinamide
purN
None
5.74
23239.0
Escherichia coli (strain K12)
GenBank Gene Database
M13747
GenBank Protein Database
147425
UniProtKB
P08179
UniProt Accession
PUR3_ECOLI
5'-phosphoribosylglycinamide transformylase
EC 2.1.2.2
GAR transformylase
GART
>Phosphoribosylglycinamide formyltransferase
MNIVVLISGNGSNLQAIIDACKTNKIKGTVRAVFSNKADAFGLERARQAGIATHTLIASA
FDSREAYDRELIHEIDMYAPDVVVLAGFMRILSPAFVSHYAGRLLNIHPSLLPKYPGLHT
HRQALENGDEEHGTSVHFVTDELDGGPVILQAKVPVFAGDSEDDITARVQTQEHAIYPLV
ISWFADGRLKMHENAAWLDGQRLPPQGYAADE
>639 bp
ATGAATATTGTGGTGCTTATTTCCGGCAACGGAAGTAATTTACAGGCAATTATTGACGCC
TGTAAAACCAACAAAATTAAAGGCACCGTACGGGCAGTTTTCAGCAATAAGGCCGACGCG
TTCGGCCTTGAACGCGCCCGCCAGGCGGGTATTGCAACGCATACGCTCATCGCCAGCGCG
TTTGACAGTCGTGAAGCCTATGACCGGGAGTTGATTCATGAAATCGACATGTACGCACCC
GATGTGGTCGTGCTGGCTGGTTTTATGCGCATTCTCAGCCCGGCGTTTGTCTCCCACTAT
GCCGGGCGTTTGCTGAACATTCACCCTTCTCTGCTGCCGAAATATCCCGGATTACACACC
CATCGTCAGGCGCTGGAAAATGGCGATGAAGAGCACGGTACATCGGTGCATTTCGTCACC
GATGAACTGGACGGTGGCCCGGTTATTTTACAGGCGAAAGTCCCGGTATTTGCTGGTGAT
TCGGAAGATGACATCACCGCCCGCGTGCAAACCCAGGAACACGCCATTTATCCACTGGTG
ATTAGCTGGTTTGCCGATGGTCGTCTGAAAATGCACGAAAACGCCGCGTGGCTGGATGGT
CAACGTCTGCCGCCGCAGGGCTACGCTGCCGACGAGTAA
PF00551
Formyl_trans_N
function
transferase activity
function
hydroxymethyl-, formyl- and related transferase activity
function
transferase activity, transferring one-carbon groups
function
methyltransferase activity
function
glycine hydroxymethyltransferase activity
function
catalytic activity
function
phosphoribosylglycinamide formyltransferase activity
process
IMP biosynthesis
process
'de novo' IMP biosynthesis
process
nucleobase, nucleoside, nucleotide and nucleic acid metabolism
process
nucleotide metabolism
process
physiological process
process
purine nucleoside monophosphate biosynthesis
process
purine ribonucleoside monophosphate biosynthesis
process
metabolism
process
purine nucleotide metabolism
process
cellular metabolism
process
purine nucleotide biosynthesis
process
biosynthesis
"
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| owl:sameAs |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines/drugbank_small.nt
The resource does not appear as an object