Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03070"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"Selenazole-4-Carboxyamide-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
C-glycosyl Compounds
Other Disaccharides
Organic Pyrophosphates
Purines and Purine Derivatives
Aminopyrimidines and Derivatives
N-substituted Imidazoles
Organic Phosphoric Acids
Primary Aromatic Amines
Organophosphate Esters
Tetrahydrofurans
Oxolanes
Selenazoles
1,2-Diols
Secondary Alcohols
Primary Carboxylic Acid Amides
Dialkyl Ethers
Carboxylic Acids
Polyamines
Enolates
Organoselenium Compounds
pentose disaccharide
disaccharide phosphate
c-glycosyl compound
disaccharide
organic pyrophosphate
imidazopyrimidine
purine
aminopyrimidine
phosphoric acid ester
organic phosphate
pyrimidine
n-substituted imidazole
primary aromatic amine
tetrahydrofuran
oxolane
1,3-selenazole
imidazole
azole
primary carboxylic acid amide
carboxamide group
1,2-diol
secondary alcohol
enolate
ether
polyamine
carboxylic acid derivative
carboxylic acid
dialkyl ether
alcohol
organonitrogen compound
primary amine
organoselenium compound
amine
logP
-1.4
ALOGPS
logS
-2
ALOGPS
Water Solubility
7.05e+00 g/l
ALOGPS
logP
-7.2
ChemAxon
IUPAC Name
[({[(2S,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]({[(2S,3R,4R,5R)-5-(4-carbamoyl-1,3-selenazol-2-yl)-3,4-dihydroxyoxolan-2-yl]methoxy})phosphinic acid
ChemAxon
Traditional IUPAC Name
{[(2S,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy[(2S,3R,4R,5R)-5-(4-carbamoyl-1,3-selenazol-2-yl)-3,4-dihydroxyoxolan-2-yl]methoxyphosphinic acid
ChemAxon
Molecular Weight
716.35
ChemAxon
Monoisotopic Weight
717.009993395
ChemAxon
SMILES
NC(=O)C1=C[Se]C(=N1)[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
C19H25N7O14P2Se
ChemAxon
InChI
InChI=1S/C19H25N7O14P2Se/c20-15-9-17(23-4-22-15)26(5-24-9)19-13(30)11(28)8(39-19)2-37-42(34,35)40-41(32,33)36-1-7-10(27)12(29)14(38-7)18-25-6(3-43-18)16(21)31/h3-5,7-8,10-14,19,27-30H,1-2H2,(H2,21,31)(H,32,33)(H,34,35)(H2,20,22,23)/t7-,8-,10-,11-,12+,13+,14+,19+/m0/s1
ChemAxon
InChIKey
InChIKey=SKNBJMQZTZPCPF-FXXOXGJPSA-N
ChemAxon
Polar Surface Area (PSA)
327.27
ChemAxon
Refractivity
145.05
ChemAxon
Polarizability
56.71
ChemAxon
Rotatable Bond Count
11
ChemAxon
H Bond Acceptor Count
16
ChemAxon
H Bond Donor Count
8
ChemAxon
pKa (strongest acidic)
1.86
ChemAxon
pKa (strongest basic)
5
ChemAxon
Physiological Charge
-2
ChemAxon
Number of Rings
5
ChemAxon
Bioavailability
0
ChemAxon
MDDR-Like Rule
true
ChemAxon
PubChem Compound
46936569
PubChem Substance
46508188
PDB
SAE
BE0000722
Inosine-5'-monophosphate dehydrogenase 2
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
unknown
Inosine-5'-monophosphate dehydrogenase 2
Nucleotide transport and metabolism
Rate limiting enzyme in the de novo synthesis of guanine nucleotides and therefore is involved in the regulation of cell growth. It may also have a role in the development of malignancy and the growth progression of some tumors
IMPDH2
3p21.2
None
6.9
55806.0
Human
HUGO Gene Nomenclature Committee (HGNC)
HGNC:6053
GenAtlas
IMPDH2
GeneCards
IMPDH2
GenBank Gene Database
J04208
GenBank Protein Database
307066
UniProtKB
P12268
UniProt Accession
IMDH2_HUMAN
EC 1.1.1.205
IMP dehydrogenase 2
IMPD 2
IMPDH-II
>Inosine-5'-monophosphate dehydrogenase 2
MADYLISGGTSYVPDDGLTAQQLFNCGDGLTYNDFLILPGYIDFTADQVDLTSALTKKIT
LKTPLVSSPMDTVTEAGMAIAMALTGGIGFIHHNCTPEFQANEVRKVKKYEQGFITDPVV
LSPKDRVRDVFEAKARHGFCGIPITDTGRMGSRLVGIISSRDIDFLKEEEHDCFLEEIMT
KREDLVVAPAGITLKEANEILQRSKKGKLPIVNEDDELVAIIARTDLKKNRDYPLASKDA
KKQLLCGAAIGTHEDDKYRLDLLAQAGVDVVVLDSSQGNSIFQINMIKYIKDKYPNLQVI
GGNVVTAAQAKNLIDAGVDALRVGMGSGSICITQEVLACGRPQATAVYKVSEYARRFGVP
VIADGGIQNVGHIAKALALGASTVMMGSLLAATTEAPGEYFFSDGIRLKKYRGMGSLDAM
DKHLSSQNRYFSEADKIKVAQGVSGAVQDKGSIHKFVPYLIAGIQHSCQDIGAKSLTQVR
AMMYSGELKFEKRTSSAQVEGGVHSLHSYEKRLF
>1545 bp
ATGGCCGACTACCTGATTAGTGGGGGCACGTCCTACGTGCCAGACGACGGACTCACAGCA
CAGCAGCTCTTCAACTGCGGAGACGGCCTCACCTACAATGACTTTCTCATTCTCCCTGGG
TACATCGACTTCACTGCAGACCAGGTGGACCTGACTTCTGCTCTGACCAAGAAAATCACT
CTTAAGACCCCACTGGTTTCCTCTCCCATGGACACAGTCACAGAGGCTGGGATGGCCATA
GCAATGGCGCTTACAGGCGGTATTGGCTTCATCCACCACAACTGTACACCTGAATTCCAG
GCCAATGAAGTTCGGAAAGTGAAGAAATATGAACAGGGATTCATCACAGACCCTGTGGTC
CTCAGCCCCAAGGATCGCGTGCGGGATGTTTTTGAGGCCAAGGCCCGGCATGGTTTCTGC
GGTATCCCAATCACAGACACAGGCCGGATGGGGAGCCGCTTGGTGGGCATCATCTCCTCC
AGGGACATTGATTTTCTCAAAGAGGAGGAACATGACTGTTTCTTGGAAGAGATAATGACA
AAGAGGGAAGACTTGGTGGTAGCCCCCCGCAGCATCACACTGAAGGAGGCAAATGAAATT
CTGCAGCGCAGCAAGAAGGGAAAGTTGCCCATTGTAAATGAAGATGATGAGCTTGTGGCC
ATCATTGCCCGGACAGACCTGAAGAAGAATCGGGACTACCCACTAGCCTCCAAAGATGCC
AAGAAACAGCTGCTGTGTGGGGCAGCCATTGGCACTCATGAGGATGACAAGTATAGGCTG
GACTTGCTCGCCCAGGCTGGTGTGGATGTAGTGGTTTTGGACTCTTCCCAGGGAAATTCC
ATCTTCCAGATCAATATGATCAAGTACATCAAAGACAAATACCCTAATCTCCAAGTCATT
GGAGGCAATGTGGTCACTGCTGCCCAGGCCAAGAACCTCATTGATGCAGGTGTGGATGCC
CTGCGGGTGGGCATGGGAAGTGGCTCCATCTGCATTACGCAGGAAGTGCTGGCCTGTGGG
CGGCCCCAAGCAACAGCAGTGTACAAGGTGTCAGAGTATGCACGGCGCTTTGGTGTTCCG
GTCATTGCTGATGGAGGAATCCAAAATGTGGGTCATATTGCGAAAGCCTTGGCCCTTGGG
GCCTCCACAGTCATGATGGGCTCTCTCCTGGCTGCCACCACTGAGGCCCCTGGTGAATAC
TTCTTTTCCGATGGGATCCGGCTAAAGAAATATCGCGGTATGGGTTCTCTCGATGCCATG
GACAAGCACCTCAGCAGCCAGAACAGATATTTCAGTGAAGCTGACAAAATCAAAGTGGCC
CAGGGAGTGTCTGGTGCTGTGCAGGACAAAGGGTCAATCCACAAATTTGTCCCTTACCTG
ATTGCTGGCATCCAACACTCATGCCAGGACATTGGTGCCAAGAGCTTGACCCAAGTCCGA
GCCATGATGTACTCTGGGGAGCTTAAGTTTGAGAAGAGAACGTCCTCAGCCCAGGTGGAA
GGTGGCGTCCATAGCCTCCATTCGTATGAGAAGCGGCTTTTCTGA
PF00571
CBS
PF00478
IMPDH
function
IMP dehydrogenase activity
function
oxidoreductase activity
function
oxidoreductase activity, acting on CH-OH group of donors
function
oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
function
catalytic activity
process
purine nucleotide metabolism
process
metabolism
process
purine nucleotide biosynthesis
process
cellular metabolism
process
nucleobase, nucleoside, nucleotide and nucleic acid metabolism
process
nucleotide metabolism
process
purine nucleoside monophosphate biosynthesis
process
purine ribonucleoside monophosphate biosynthesis
process
physiological process
process
GMP biosynthesis
"
|
| 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