Shoichet Laboratory

CCP non-binders

These compounds are known NOT to bind to CCP:

Name Smile string Reference
3,5-difluoroanilinenc1cc(F)cc(F)c1Brenk et. al., 2006
toluenecc1ccccc1Brenk et. al., 2006
4-aminosorcinol hydrochloride[nH3+]c1ccc(o)cc1oBrenk et. al., 2006
3-amino-4-cyanopyrazolen#cc1c[nH]nc1nMusah et. al., 2002
3-cyanopyridinec1cc(cnc1)c#nMusah et. al., 2002
3-chlorophenoloc1cccc(Cl)c1Brenk et. al., 2006
3-aminopyrazolec1cn[nH]c1nMusah et. al., 2002
indazolec1ccc2c(c1)cn[nH]2Musah et. al., 2002
4-amino-5-imidazole carboxamidec1[nH]c(c(n1)c(=o)n)nMusah et. al., 2002
2-thiolpyrimidinec1cnc(nc1)sMusah et. al., 2002
2-thiolimidazolec1cnc([nH]1)sMusah et. al., 2002
pyrazolec1c[nH]nc1Musah et. al., 2002
2-cyanoanilinec1ccc(c(c1)c#n)nMusah et. al., 2002
isoiazidec1cc(cnc1)c(=o)nnMusah et. al., 2002
tetrazolec1[nH]nnn1Musah et. al., 2002
dimethylammoniumc[nH2+]cMusah et. al., 2002
methylammoniumc[nH3+]Musah et. al., 2002

Download both binders and decoys with compound structures as excel file