Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03543"
| Predicate | Value (sorted: none) |
|---|---|
| owl:sameAs | |
| ns1:description |
"
experimental
This compound belongs to the aminobenzoic acid derivatives. These are benzoic acids (or derivative thereof) containing an amine group attached to the benzene moiety.
Aminobenzoic Acid Derivatives
Organic Compounds
Benzenoids
Benzene and Substituted Derivatives
Benzoic Acid and Derivatives
Benzoic Acids
Benzoyl Derivatives
Organophosphate Esters
Organic Phosphoric Acids
1,2-Diols
Secondary Alcohols
1,2-Aminoalcohols
Enolates
Carboxylic Acids
Polyamines
Secondary Amines
benzoyl
phosphoric acid ester
organic phosphate
1,2-aminoalcohol
1,2-diol
polyol
secondary alcohol
enolate
polyamine
secondary amine
carboxylic acid derivative
carboxylic acid
amine
alcohol
organonitrogen compound
logP
-1.2
ALOGPS
logS
-2.2
ALOGPS
Water Solubility
2.29e+00 g/l
ALOGPS
logP
-1.6
ChemAxon
IUPAC Name
2-{[(2S,3R,4R)-2,3,4-trihydroxy-5-(phosphonooxy)pentyl]amino}benzoic acid
ChemAxon
Traditional IUPAC Name
2-{[(2S,3R,4R)-2,3,4-trihydroxy-5-(phosphonooxy)pentyl]amino}benzoic acid
ChemAxon
Molecular Weight
351.2464
ChemAxon
Monoisotopic Weight
351.071917691
ChemAxon
SMILES
O[C@@H](CNC1=CC=CC=C1C(O)=O)[C@@H](O)[C@H](O)COP(O)(O)=O
ChemAxon
Molecular Formula
C12H18NO9P
ChemAxon
InChI
InChI=1S/C12H18NO9P/c14-9(11(16)10(15)6-22-23(19,20)21)5-13-8-4-2-1-3-7(8)12(17)18/h1-4,9-11,13-16H,5-6H2,(H,17,18)(H2,19,20,21)/t9-,10+,11+/m0/s1
ChemAxon
InChIKey
InChIKey=AULMJMUNCOBRHC-HBNTYKKESA-N
ChemAxon
Polar Surface Area (PSA)
176.78
ChemAxon
Refractivity
78.56
ChemAxon
Polarizability
31.31
ChemAxon
Rotatable Bond Count
9
ChemAxon
H Bond Acceptor Count
9
ChemAxon
H Bond Donor Count
7
ChemAxon
pKa (strongest acidic)
1.75
ChemAxon
pKa (strongest basic)
1.14
ChemAxon
Physiological Charge
-3
ChemAxon
Number of Rings
1
ChemAxon
Bioavailability
1
ChemAxon
PubChem Compound
46936710
PubChem Substance
46507680
PDB
137
BE0001549
N-(5'-phosphoribosyl)anthranilate isomerase
Thermotoga maritima (strain ATCC 43589 / MSB8 / DSM 3109 / JCM 10099)
# 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
N-(5'-phosphoribosyl)anthranilate isomerase
Involved in phosphoribosylanthranilate isomerase activity
N-(5-phospho-beta-D-ribosyl)anthranilate = 1- (2-carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate
trpF
None
6.55
23041.0
Thermotoga maritima (strain ATCC 43589 / MSB8 / DSM 3109 / JCM 10099)
GenBank Gene Database
X92729
GenBank Protein Database
3980232
UniProtKB
Q56320
UniProt Accession
TRPF_THEMA
EC 5.3.1.24
PRAI
>N-(5'-phosphoribosyl)anthranilate isomerase
MVRVKICGITNLEDALFSVESGADAVGFVFYPKSKRYISPEDARRISVELPPFVFRVGVF
VNEEPEKILDVASYVQLNAVQLHGEEPIELCRKIAERILVIKAVGVSNERDMERALNYRE
FPILLDTKTPEYGGSGKTFDWSLILPYRDRFRYLVLSGGLNPENVRSAIDVVRPFAVDVS
SGVEAFPGKKDHDSIKMFIKNAKGL
>618 bp
ATGGTCAGAGTGAAAATCTGCGGGATAACGAACCTGGAAGATGCACTGTTTTCTGTGGAG
AGTGGTGCTGACGCTGTGGGATTCGTTTTCTATCCTAAGAGCAAAAGGTACATCTCTCCT
GAGGATGCCAGGAGGATTTCTGTTGAATTACCTCCTTTCGTTTTTCGTGTGGGGGTCTTT
GTGAACGAAGAACCAGAAAAGATTCTGGATGTGGCCTCTTATGTTCAGCTGAACGCGGTC
CAGCTACATGGAGAAGAACCGATCGAACTGTGCAGAAAAATAGCGGAGAGAATCCTGGTG
ATAAAAGCAGTTGGAGTTTCGAACGAAAGGGATATGGAACGTGCTTTGAATTACAGGGAA
TTTCCGATTCTTCTCGATACGAAGACACCGGAGTATGGAGGAAGCGGAAAAACGTTCGAC
TGGTCTCTGATCCTCCCGTACAGGGACCGGTTCAGGTATCTCGTGCTATCGGGAGGTTTG
AATCCTGAGAACGTCAGAAGTGCGATAGACGTGGTTAGACCTTTCGCGGTGGATGTGTCT
TCCGGTGTTGAGGCCTTTCCGGGAAAGAAAGATCACGATTCAATAAAGATGTTCATTAAA
AATGCAAAGGGGTTGTGA
PF00697
PRAI
function
isomerase activity
function
intramolecular oxidoreductase activity
function
intramolecular oxidoreductase activity, interconverting aldoses and ketoses
function
catalytic activity
function
phosphoribosylanthranilate isomerase activity
process
amino acid derivative metabolism
process
biogenic amine metabolism
process
indolalkylamine metabolism
process
physiological process
process
tryptophan metabolism
process
metabolism
process
cellular metabolism
process
amino acid and derivative metabolism
BE0001558
Tryptophan biosynthesis protein TrpCF
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
Tryptophan biosynthesis protein TrpCF
Amino acid transport and metabolism
Bifunctional enzyme that catalyzes two sequential steps of tryptophan biosynthetic pathway. The first reaction is catalyzed by the isomerase, coded by the trpF domain; the second reaction is catalyzed by the synthase, coded by the trpC domain
trpC
None
5.61
49362.0
Escherichia coli (strain K12)
GenBank Gene Database
V00366
GenBank Protein Database
43192
UniProtKB
P00909
UniProt Accession
TRPC_ECOLI
EC 4.1.1.48
IGPS
N-(5'-phospho- ribosyl)anthranilate isomerase;EC 5.3.1.24
>Tryptophan biosynthesis protein trpCF [Includes: Indole-3-glycerol phosphate synthase
MQTVLAKIVADKAIWVEARKQQQPLASFQNEVQPSTRHFYDALQGARTAFILECKKASPS
KGVIRDDFDPARIAAIYKHYASAISVLTDEKYFQGSFNFLPIVSQIAPQPILCKDFIIDP
YQIYLARYYQADACLLMLSVLDDDQYRQLAAVAHSLEMGVLTEVSNEEEQERAIALGAKV
VGINNRDLRDLSIDLNRTRELAPKLGHNVTVISESGINTYAQVRELSHFANGFLIGSALM
AHDDLHAAVRRVLLGENKVCGLTRGQDAKAAYDAGAIYGGLIFVATSPRCVNVEQAQEVM
AAAPLQYVGVFRNHDIADVVDKAKVLSLAAVQLHGNEEQLYIDTLREALPAHVAIWKALS
VGETLPAREFQHVDKYVLDNGQGGSGQRFDWSLLNGQSLGNVLLAGGLGADNCVEAAQTG
CAGLDFNSAVESQPGIKDARLLASVFQTLRAY
>1359 bp
ATGCAAACCGTTTTAGCGAAAATCGTCGCAGACAAGGCGATTTGGGTAGAAGCCCGCAAA
CAGCAGCAACCGCTGGCCAGTTTTCAGAATGAGGTTCAGCCGAGCACGCGACATTTTTAT
GATGCGCTACAGGGTGCGCGCACGGCGTTTATTCTGGAGTGCAAGAAAGCGTCGCCGTCA
AAAGGCGTGATCCGTGATGATTTCGATCCAGCACGCATTGCCGCCATTTATAAACATTAC
GCTTCGGCAATTTCGGTGCTGACTGATGAGAAATATTTCAGGGGTAGCTTTAATTTCCTC
CCCATCGTCAGCCAAATCGCCCCGCAGCCGATTTTATGTAAAGACTTCATTATCGACCCT
TACCAGATCTATCTGGCGCGCTATTACCAGGCCGATGCCTGCTTATTAATGCTTTCAGTA
CTGGATGACGACCAATATCGCCAGCTTGCCGCCGTCGCTCACAGTCTGGAGATGGGGGTG
CTGACCGAAGTCAGTAATGAAGAGGAACAGGAGCGCGCCATTGCATTGGGAGCAAAGGTC
GTTGGCATCAACAACCGCGATCTGCGTGATTTGTCGATTGATCTCAACCGTACCCGCGAG
CTTGCGCCGAAACTGGGGCACAACGTGACGGTAATCAGCGAATCCGGCATCAATACTTAC
GCTCAGGTGCGCGAGTTAAGCCACTTCGCTAACGGTTTTCTGATTGGTTCGGCGTTGATG
GCCCATGACGATTTGCACGCCGCCGTGCGCCGGGTGTTGCTGGGTGAGAATAAAGTATGT
GGCCTGACGCGTGGGCAAGATGCTAAAGCAGCTTATGACGCGGGCGCGATTTACGGTGGG
TTGATTTTTGTTGCGACATCACCGCGTTGCGTCAACGTTGAACAGGCGCAGGAAGTGATG
GCTGCGGCACCGTTGCAGTATGTTGGCGTGTTCCGCAATCACGATATTGCCGATGTGGTG
GACAAAGCTAAGGTGTTATCGCTGGTGGCAGTGCAACTGCATGGTAATGAAGAACAGCTG
TATATCGATACGCTGCGTGAAGCTCTGCCAGCACATGTTGCCATCTGGAAAGCATTAAGC
GTCGGTGAAACCCTGCCCGCCCGCGAGTTTCAGCACGTTGATAAATATGTTTTAGACAAC
GGCCAGGGTGGAAGCGGGCAACGTTTTGACTGGTCACTATTAAATGGTCAAACGCTTGGC
AACGTTCTGCTGGCGGGGGGCTTAGGCGCAGATAACTGCGTGGAAGCGGCACAAACCGGC
TGCGCCGGACTTGATTTTAATTCTGCTGTAGAGTCGCAACCGGGCATCAAAGACGCACGT
CTTTTGGCCTCGGTTTTCCAGACGCTGCGCGCATATTAA
PF00697
PRAI
PF00218
IGPS
function
lyase activity
function
phosphoribosylanthranilate isomerase activity
function
carbon-carbon lyase activity
function
indole-3-glycerol-phosphate synthase activity
function
carboxy-lyase activity
function
isomerase activity
function
intramolecular oxidoreductase activity
function
catalytic activity
function
intramolecular oxidoreductase activity, interconverting aldoses and ketoses
process
metabolism
process
indolalkylamine metabolism
process
cellular metabolism
process
tryptophan metabolism
process
amino acid and derivative metabolism
process
amino acid derivative metabolism
process
physiological process
process
biogenic amine metabolism
"
|
| rdfs:label |
"1-(O-Carboxy-Phenylamino)-1-Deoxy-D-Ribulose-5-Phosphate"
|
| 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