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publicationNumber US-7252931-B2
titleOfInvention NMR-solve method for rapid identification of bi-ligand drug candidates
abstract Methods for rapidly identifying drug candidates that can bind to an enzyme at both a common ligand site and a specificity ligand site, resulting in high affinity binding. The bi-ligand drug candidates are screened from a focused combinatorial library where the specific points of variation on a core structure are optimized. The optimal points of variation are identified by which atoms of a ligand bound to the common ligand site are identified to be proximal to the specificity ligand site. As a result, the atoms proximal to the specificity ligand site can then be used as a point for variation to generate a focused combinatorial library of high affinity drug candidates that can bind to both the common ligand site and the specificity ligand site. Different candidates in the library can then have high affinity for many related enzymes sharing a similar common ligand site.
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http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCA9R584
http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID46931118
http://rdf.ncbi.nlm.nih.gov/pubchem/substance/SID452019742
http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID668
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCA2SHT9
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCO13309
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCQ59906
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCA4FZL2
http://rdf.ncbi.nlm.nih.gov/pubchem/substance/SID129590149
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCQ07UX5
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCQ59838
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCB0CGJ9
http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID5750
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCA2XAZ3
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCB7LRL0
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCQ2W064
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCQ6L0C3
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCA7ZSD0
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCQ2IRH1
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCP27726
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCQ8X4B4
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCQ2T7J2
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCP57384
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCA5VSQ4
http://rdf.ncbi.nlm.nih.gov/pubchem/substance/SID414874041
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCQ8TSH7
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCA3MWU9
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCQ2YQ23
http://rdf.ncbi.nlm.nih.gov/pubchem/gene/GID100799042
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCQ2T4T8
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCC4ZQD2
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCB4T769
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCQ07YA5
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCP27581
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCA5VY92
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCQ7NHJ3
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCQ8ZWK7
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCQ88FF8
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCC5D654
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCQ59800
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCC6A312
http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID16755622
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCQ32HQ6
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCB2S5Q9
http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID6022
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCA3MTU1
http://rdf.ncbi.nlm.nih.gov/pubchem/substance/SID457834974
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCB5YU47
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCA1AGC9
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCB8CSY7
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCP0A9B3
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCQ6LCE4
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCC5CSI5
http://rdf.ncbi.nlm.nih.gov/pubchem/gene/GID18104
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCQ9U8S9
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCP04406
http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID439153
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCB4TJT3
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCB2J5F8
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCP29272
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCA1K5Q9
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCP10618
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCQ5AR48
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCP0A9B5
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCB7N3F9
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCP10807
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCP22133
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCQ6M0E6
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCP19848
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCA7MWD3
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCQ7NZ60
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCQ2YLR9
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCO82399
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCA3N1U6
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCE1ACQ9
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCP19854
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCQ8EPE2
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCB4U831
http://rdf.ncbi.nlm.nih.gov/pubchem/gene/GID374193
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCA1KI28
http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID53814378
http://rdf.ncbi.nlm.nih.gov/pubchem/substance/SID226480119
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCA0Q6K3
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCO19053
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCA7MNR3
http://rdf.ncbi.nlm.nih.gov/pubchem/gene/GID4336216
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCQ2YAQ4
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCP22246
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCB2JQD2
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCQ25QU7
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCA3P7Q9
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCP22245
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCB4TWK9
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCQ9V0D5
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCB2K2N5
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCQ60B71
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCA0PVV1
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCA3NM97
http://rdf.ncbi.nlm.nih.gov/pubchem/substance/SID415732414
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCQ49VN8
http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID16211258
http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID21966299
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCP19977
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCQ31GW8
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCQ8F4A2
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCA5WGM2
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCQ46YU4
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCQ7W5Q8
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCQ1AWH4
http://rdf.ncbi.nlm.nih.gov/pubchem/substance/SID419559591
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCQ255I4
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCQ20XN0
http://rdf.ncbi.nlm.nih.gov/pubchem/substance/SID419547023
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCA0QCI6
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCB7LP27
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCQ6MAA3
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCP19979
http://rdf.ncbi.nlm.nih.gov/pubchem/gene/GID100910768
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCQ7VW97
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCA7NG29

Total number of triples: 1385.