Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02905"
| Predicate | Value (sorted: none) |
|---|---|
| drugbank:description |
"
experimental
This compound belongs to the purine ribonucleoside monophosphates. These are nucleotides consisting of a purine base linked to a ribose to which one monophosphate group is attached.
Purine Ribonucleoside Monophosphates
Organic Compounds
Organooxygen Compounds
Carbohydrates and Carbohydrate Conjugates
Glycosyl Compounds
Purines and Purine Derivatives
N-substituted Imidazoles
Organic Phosphoric Acids
Organophosphate Esters
Pyrimidines and Pyrimidine Derivatives
Tetrahydrofurans
Oxolanes
1,2-Diols
Secondary Alcohols
Ethers
Polyamines
purine
imidazopyrimidine
organic phosphate
phosphoric acid ester
pyrimidine
n-substituted imidazole
tetrahydrofuran
oxolane
azole
imidazole
secondary alcohol
1,2-diol
polyamine
ether
organonitrogen compound
amine
alcohol
logP
-1.9
ALOGPS
logS
-2
ALOGPS
Water Solubility
3.39e+00 g/l
ALOGPS
logP
-3
ChemAxon
IUPAC Name
{[(2S,3R,4R,5R)-3,4-dihydroxy-5-(2-hydroxy-7H-purin-7-yl)oxolan-2-yl]methoxy}phosphonic acid
ChemAxon
Traditional IUPAC Name
[(2S,3R,4R,5R)-3,4-dihydroxy-5-(2-hydroxypurin-7-yl)oxolan-2-yl]methoxyphosphonic acid
ChemAxon
Molecular Weight
348.206
ChemAxon
Monoisotopic Weight
348.047099924
ChemAxon
SMILES
O[C@H]1[C@H](COP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C1C=NC(O)=N2
ChemAxon
Molecular Formula
C10H13N4O8P
ChemAxon
InChI
InChI=1S/C10H13N4O8P/c15-6-5(2-21-23(18,19)20)22-9(7(6)16)14-3-12-8-4(14)1-11-10(17)13-8/h1,3,5-7,9,15-16H,2H2,(H,11,13,17)(H2,18,19,20)/t5-,6-,7+,9+/m0/s1
ChemAxon
InChIKey
InChIKey=BVZASCINAVSQNO-XZMZPDFPSA-N
ChemAxon
Polar Surface Area (PSA)
180.28
ChemAxon
Refractivity
72.6
ChemAxon
Polarizability
29.19
ChemAxon
Rotatable Bond Count
4
ChemAxon
H Bond Acceptor Count
10
ChemAxon
H Bond Donor Count
5
ChemAxon
pKa (strongest acidic)
1.2
ChemAxon
pKa (strongest basic)
2.54
ChemAxon
Physiological Charge
-2
ChemAxon
Number of Rings
3
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
PubChem Compound
46936525
PubChem Substance
46506029
PDB
P2P
BE0001229
Nicotinate-nucleotide--dimethylbenzimidazole phosphoribosyltransferase
Salmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720)
# 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
Nicotinate-nucleotide--dimethylbenzimidazole phosphoribosyltransferase
Coenzyme transport and metabolism
Catalyzes the synthesis of alpha-ribazole-5'-phosphate from nicotinate mononucleotide (NAMN) and 5,6- dimethylbenzimidazole (DMB)
cobT
None
6.3
36613.0
Salmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720)
GenBank Gene Database
L35477
GenBank Protein Database
535767
UniProtKB
Q05603
UniProt Accession
COBT_SALTY
EC 2.4.2.21
N(1)-alpha-phosphoribosyltransferase
NN:DBI PRT
>Nicotinate-nucleotide--dimethylbenzimidazole phosphoribosyltransferase
MQTLHALLRDIPAPDAEAMARAQQHIDGLLKPPGSLGRLETLAVQLAGMPGLNGTPQVGE
KAVLVMCADHGVWDEGVAVSPKIVTAIQAANMTRGTTGVCVLAAQAGAKVHVIDVGIDAE
PIPGVVNMRVARGCGNIAVGPAMSRLQAEALLLEVSRYTCDLAQRGVTLFGVGELGMANT
TPAAAMVSVFTGSDAKEVVGIGANLPPSRIDNKVDVVRRAIAINQPNPRDGIDVLSKVGG
FDLVGMTGVMLGAARCGLPVLLDGFLSYSAALAACQIAPAVRPYLIPSHFSAEKGARIAL
AHLSMEPYLHMAMRLGEGSGAALAMPIVEAACAMFHNMGELAASNIVLPEGNANAT
>1101 bp
ATGAGCCGATTATTACGGACGAGACATCTTATGCAGACACTACACGCTTTACTCCGTGAC
ATTCCTGCGCCGGACGCCGAGGCGATGGCGCGTACGCAGCAACATATTGACGGCCTGCTC
AAACCGCCGGGCAGCCTGGGCAGACTGGAAACCTTAGCCGTTCAGCTCGCGGGTATGCCG
GGTCTTAACGGTACGCCGCAGGTAGGTGAAAAGGCGGTGCTGGTGATGTGCGCCGACCAT
GGCGTCTGGGATGAAGGCGTAGCGGTTTCGCCCAAAATCGTGACGGCGATTCAGGCGGCG
AATATGACGCGGGGAACAACCGGCGTATGCGTGCTTGCCGCTCAGGCCGGTGCGAAGGTG
CATGTCATTGATGTCGGTATTGATGCCGAACCTATTCCTGGCGTAGTTAATATGCGCGTC
GCGCGCGGCTGCGGAAATATTGCCGTTGGCCCGGCGATGAGTCGCTTGCAGGCTGAGGCG
CTTTTACTGGAGGTTTCCCGCTGCGCCTGCGACCTGGCGCAACGCGGCGTGACCTTATTT
GGCGTAGGGGAACTGGGAATGGCGAACACTACGCCAGCCGCCGCGATGGTCAGCGTTTTT
ACAGGAAGTGATGCAAAAGAGGTGGTGGGGATTGGCGCGAATCTTCCGCCTTCCCGCATC
GATAATAAAGTGGACGTCGTGCGGCGGGCGATTGCGATTAATCAGCCCAATCCGCGCGAC
GGCATTGATGTGTTGTCGAAGGTGGGTGGTTTTGATCTGGTCGGGATGACCGGCGTGATG
CTTGGCGCGGCAAGGTGTGGCTTACCCGTATTGCTGGATGGCTTTCTTTCCTACTCGGCA
GCGCTGGCGGCCTGTCAGATTGCGCCTGCGGTGAGACCTTATCTGATCCCGTCGCACTTT
TCGGCGGAAAAGGGCGCCCGCATCGCGCTCGCGCATTTGTCTATGGAACCCTATTTGCAT
ATGGCGATGCGGTTAGGTGAAGGAAGCGGCGCGGCGCTGGCGATGCCGATCGTGGAAGCC
GCGTGCGCCATGTTCCACAACATGGGGGAGTTGGCGGCCAGTAATATTGTCCTGCCGGAG
GGGAACGCAAACGCAACATAA
PF02277
DBI_PRT
function
transferase activity
function
transferase activity, transferring glycosyl groups
function
transferase activity, transferring pentosyl groups
function
nicotinate-nucleotide-dimethylbenzimidazole phosphoribosyltransferase activity
function
catalytic activity
process
metabolism
process
cellular metabolism
process
heterocycle metabolism
process
porphyrin metabolism
process
porphyrin biosynthesis
process
physiological process
process
cobalamin biosynthesis
"
|
| owl:sameAs | |
| rdf:type | |
| rdfs:label |
"Phosphoric Acid Mono-[3,4-Dihydroxy-5-(5-Hydroxy-Benzoimidazol-1-Yl)Tetrahydro-Furan-2-Ylmethyl] Ester"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object