These compounds are known NOT to bind to CCP:
| Name | Smile string | Reference |
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| 3,5-difluoroaniline | nc1cc(F)cc(F)c1 | Brenk et. al., 2006 | | toluene | cc1ccccc1 | Brenk et. al., 2006 | | 4-aminosorcinol hydrochloride | [nH3+]c1ccc(o)cc1o | Brenk et. al., 2006 | | 3-amino-4-cyanopyrazole | n#cc1c[nH]nc1n | Musah et. al., 2002 | | 3-cyanopyridine | c1cc(cnc1)c#n | Musah et. al., 2002 | | 3-chlorophenol | oc1cccc(Cl)c1 | Brenk et. al., 2006 | | 3-aminopyrazole | c1cn[nH]c1n | Musah et. al., 2002 | | indazole | c1ccc2c(c1)cn[nH]2 | Musah et. al., 2002 | | 4-amino-5-imidazole carboxamide | c1[nH]c(c(n1)c(=o)n)n | Musah et. al., 2002 | | 2-thiolpyrimidine | c1cnc(nc1)s | Musah et. al., 2002 | | 2-thiolimidazole | c1cnc([nH]1)s | Musah et. al., 2002 | | pyrazole | c1c[nH]nc1 | Musah et. al., 2002 | | 2-cyanoaniline | c1ccc(c(c1)c#n)n | Musah et. al., 2002 | | isoiazide | c1cc(cnc1)c(=o)nn | Musah et. al., 2002 | | tetrazole | c1[nH]nnn1 | Musah et. al., 2002 | | dimethylammonium | c[nH2+]c | Musah et. al., 2002 | | methylammonium | c[nH3+] | Musah et. al., 2002 |
Download both binders and decoys with compound structures as excel file
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