Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03893"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"Thionicotinamide-Adenine-Dinucleotide"
|
| rdf:type | |
| drugbank:description |
"
experimental
This compound belongs to the purine ribonucleoside diphosphates. These are purine ribobucleotides with diphosphate group linked to the ribose moiety.
Purine Ribonucleoside Diphosphates
Organic Compounds
Organooxygen Compounds
Carbohydrates and Carbohydrate Conjugates
Glycosyl Compounds
Disaccharide Phosphates
Other Disaccharides
Organic Pyrophosphates
Purines and Purine Derivatives
Aminopyrimidines and Derivatives
Pyridinium Derivatives
Organophosphate Esters
Organic Phosphoric Acids
N-substituted Imidazoles
Primary Aromatic Amines
Tetrahydrofurans
Thioamides
Oxolanes
1,2-Diols
Secondary Alcohols
Polyamines
Ethers
Thiocarboxylic Acid Amides
pentose disaccharide
disaccharide phosphate
disaccharide
organic pyrophosphate
purine
imidazopyrimidine
aminopyrimidine
pyridinium
n-substituted imidazole
organic phosphate
phosphoric acid ester
primary aromatic amine
pyridine
pyrimidine
oxolane
tetrahydrofuran
imidazole
thioamide
azole
secondary alcohol
1,2-diol
polyamine
thiocarboxylic acid amide
thiocarboxylic acid derivative
ether
amine
primary amine
organonitrogen compound
alcohol
logP
-1
ALOGPS
logS
-3
ALOGPS
Water Solubility
7.03e-01 g/l
ALOGPS
logP
-9.6
ChemAxon
IUPAC Name
1-[(2R,3R,4R,5S)-5-({[(S)-({[(2S,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl phosphonato)]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]-3-carbamothioyl-1$l^{5}-pyridin-1-ylium
ChemAxon
Traditional IUPAC Name
1-[(2R,3R,4R,5S)-5-({[(S)-([(2S,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl phosphonato)]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]-3-carbamothioyl-1$l^{5}-pyridin-1-ylium
ChemAxon
Molecular Weight
679.491
ChemAxon
Monoisotopic Weight
679.086277699
ChemAxon
SMILES
NC(=S)C1=CC=C[N+](=C1)[C@@H]1O[C@@H](CO[P@]([O-])(=O)O[P@@](O)(=O)OC[C@@H]2O[C@H]([C@H](O)[C@H]2O)N2C=NC3=C2N=CN=C3N)[C@H](O)[C@H]1O
ChemAxon
Molecular Formula
C21H27N7O13P2S
ChemAxon
InChI
InChI=1S/C21H27N7O13P2S/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(40-21)6-38-43(35,36)41-42(33,34)37-5-10-13(29)15(31)20(39-10)27-3-1-2-9(4-27)18(23)44/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,44)/t10-,11-,13-,14-,15+,16+,20+,21+/m0/s1
ChemAxon
InChIKey
InChIKey=UQYPZLRUJKCREN-XCSFTKGKSA-N
ChemAxon
Polar Surface Area (PSA)
304.02
ChemAxon
Refractivity
148.87
ChemAxon
Polarizability
59.71
ChemAxon
Rotatable Bond Count
11
ChemAxon
H Bond Acceptor Count
14
ChemAxon
H Bond Donor Count
7
ChemAxon
pKa (strongest acidic)
1.86
ChemAxon
pKa (strongest basic)
5
ChemAxon
Physiological Charge
-1
ChemAxon
Number of Rings
5
ChemAxon
Bioavailability
0
ChemAxon
MDDR-Like Rule
true
ChemAxon
PubChem Compound
46936823
PubChem Substance
46508498
PDB
SND
BE0000542
Glyceraldehyde-3-phosphate dehydrogenase
Human
# 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
# Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/10592235
unknown
Glyceraldehyde-3-phosphate dehydrogenase
Carbohydrate transport and metabolism
GAPDH
12p13
Cytoplasm
None
8.73
35922.0
Human
HUGO Gene Nomenclature Committee (HGNC)
HGNC:4141
GenAtlas
GAPDH
GeneCards
GAPDH
GenBank Gene Database
X01677
GenBank Protein Database
31645
UniProtKB
P04406
UniProt Accession
G3P_HUMAN
EC 1.2.1.12
GAPDH
>Glyceraldehyde-3-phosphate dehydrogenase
GKVKVGVNGFGRIGRLVTRAAFNSGKVDIVAINDPFIDLNYMVYMFQYDSTHGKFHGTVK
AENGKLVINGNPITIFQERDPSKIKWGDAGAEYVVESTGVFTTMEKAGAHLQGGAKRVII
SAPSADAPMFVMGVNHEKYDNSLKIISNASCTTNCLAPLAKVIHDNFGIVEGLMTTVHAI
TATQKTVDGPSGKLWRDGRGALQNIIPASTGAAKAVGKVIPELNGKLTGMAFRVPTANVS
VVDLTCRLEKPAKYDDIKKVVKQASEGPLKGILGYTEHQVVSSDFNSDTHSSTFDAGAGI
ALNDHFVKLISWYDNEFGYSNRVVDLMAHMASKE
>1008 bp
ATGGGGAAGGTGAAGGTCGGAGTCAACGGATTTGGTCGTATTGGGCGCCTGGTCACCAGG
GCTGCTTTTAACTCTGGTAAAGTGGATATTGTTGCCATCAATGACCCCTTCATTGACCTC
AACTACATGGTTTACATGTTCCAATATGATTCCACCCATGGCAAATTCCATGGCACCGTC
AAGGCTGAGAACGGGAAGCTTGTCATCAATGGAAATCCCATCACCATCTTCCAGGAGCGA
GATCCCTCCAAAATCAAGTGGGGCGATGCTGGCGCTGAGTACGTCGTGGAGTCCACTGGC
GTCTTCACCACCATGGAGAAGGCTGGGGCTCATTTGCAGGGGGGAGCCAAAAGGGTCATC
ATCTCTGCCCCCTCTGCTGATGCCCCCATGTTCGTCATGGGTGTGAACCATGAGAAGTAT
GACAACAGCCTCAAGATCATCAGCAATGCCTCCTGCACCACCAACTGCTTAGCACCCCTG
GCCAAGGTCATCCATGACAACTTTGGTATCGTGGAAGGACTCATGACCACAGTCCATGCC
ATCACTGCCACCCAGAAGACTGTGGATGGCCCCTCCGGGAAACTGTGGCGTGATGGCCGC
GGGGCTCTCCAGAACATCATCCCTGCCTCTACTGGCGCTGCCAAGGCTGTGGGCAAGGTC
ATCCCTGAGCTAGACGGGAAGCTCACTGGCATGGCCTTCCGTGTCCCCACTGCCAACGTG
TCAGTGGTGGACCTGACCTGCCGTCTAGAAAAACCTGCCAAATATGATGACATCAAGAAG
GTGGTGAAGCAGGCGTCGGAGGGCCCCCTCAAAGGCATCCTGGGCTACACTGAGCACCAG
GTGGTCTCCTCTGACTTCAACAGCGACACCCACTCCTCCACCTTTGACGCTGGGGCTGGC
ATTGCCCTCAACGACCACTTTGTCAAGCTCATTTCCTGGTATGACAACGAATTTGGCTAC
AGCAACAGGGTGGTGGACCTCATGGCCCACATGGCCTCCAAGGAGTAA
PF02800
Gp_dh_C
PF00044
Gp_dh_N
function
cofactor binding
function
glyceraldehyde-3-phosphate dehydrogenase activity
function
coenzyme binding
function
glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) activity
function
binding
function
catalytic activity
function
NAD binding
function
oxidoreductase activity, acting on the aldehyde or oxo group of donors
function
oxidoreductase activity
function
oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
process
alcohol metabolism
process
monosaccharide metabolism
process
hexose metabolism
process
glucose metabolism
process
physiological process
process
glucose catabolism
process
glycolysis
process
metabolism
process
cellular 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