The role of chemoinformatics in the design of a comprehensive drug ...
The role of chemoinformatics in the design of a comprehensive drug ...
The role of chemoinformatics in the design of a comprehensive drug ...
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Ligands vs. doma<strong>in</strong>s and folds that b<strong>in</strong>d <strong>the</strong>m<br />
Analysis <strong>of</strong> PDB – C<strong>of</strong>actor B<strong>in</strong>d<strong>in</strong>g Sites Open Large Potential Target Space<br />
Ligands Full name <strong>of</strong> ligands Number <strong>of</strong><br />
doma<strong>in</strong>s<br />
Number <strong>of</strong><br />
folds<br />
PLP Pyridoxal-5'-phosphate 17 10<br />
TDP Thiam<strong>in</strong>Diphosphate 36 10<br />
SAM S-adenosylmethion<strong>in</strong>e 41 13<br />
COA CoenzymeA 29 14<br />
GTP Guanos<strong>in</strong>e-5'-triphosphate 26 15<br />
AMP Adenos<strong>in</strong>eMonophosphate 29 15<br />
NAP NadpNicot<strong>in</strong>amide-aden<strong>in</strong>e-d<strong>in</strong>ucleotidePhosphate 73 16<br />
FMN Flav<strong>in</strong>Mononucleotide 122 16<br />
NDP NadphDihydro-nicot<strong>in</strong>amide-aden<strong>in</strong>e-d<strong>in</strong>ucleotidePhosphate 44 18<br />
ANP Phosphoam<strong>in</strong>ophosphonicAcid-adenylateEster 59 19<br />
FAD Flav<strong>in</strong>-aden<strong>in</strong>eD<strong>in</strong>ucleotide 152 21<br />
NAD Nicot<strong>in</strong>amide-aden<strong>in</strong>e-d<strong>in</strong>ucleotide 149 27<br />
GDP Guanos<strong>in</strong>e-5'-diphosphate 86 29<br />
ADP Adenos<strong>in</strong>e-5'-diphosphate 137 31<br />
ATP Adenos<strong>in</strong>e-5'-triphosphate 97 35<br />
Distribution patterns <strong>of</strong> small-molecule ligands <strong>in</strong> <strong>the</strong> prote<strong>in</strong> universe and implications for orig<strong>in</strong> <strong>of</strong> life and <strong>drug</strong> discovery<br />
Hong-Fang Ji , et al.<br />
Genome Biology 2007, 8:R176doi:10.1186/gb-2007-8-8-r176<br />
| Obernai| 20.06.10 | Edgar Jacoby
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