UCSF

Shoichet Laboratory

CCP binders


These compounds are known to bind to CCP:

Name Smile string MBC [mM]Kd [mM]PDBReference
3,4,5-trimethylthiazolecc1c(sc[n+]1c)c-0.2001AC8*Musah et. al., 2002
1-methylimidazolec[n+]1cc[nH]c1-0.0701AET*Musah et. al., 2002
2,3,4-trimethylthiazolecc1csc([n+]1c)c-1.5001AC4*Musah et. al., 2002
cyclopentylamine[nH3+]c1cccc10.500-2AS6Brenk et. al., 2006
4-methylimidazolecc1c[nH+]c[nH]1-0.060-Musah et. al., 2002
4,5-diaminopyrimidinenc1c[nH+]cnc1n0.500--Brenk et. al., 2006
3-fluorocatecholoc1cccc(F)c1o-7.7002AS4Brenk et. al., 2006
4-aminopyrimidinenc1cc[nH+]cn10.250--Brenk et. al., 2006
3-thienylmethylamine[nH3+]cc1ccsc1-0.0502EUQBrenk et. al., 2006
phenoloc1ccccc1-4.1002AS3Brenk et. al., 2006
aniline[nH3+]c1ccccc1-0.0301AEE*Musah et. al., 2002
4-pyridylcarbinolocc1cc[nH+]cc10.500-2EURBrenk et. al., 2006
2-methylimidazolecc1[nH]cc[nH+]1-0.0701AEU*Musah et. al., 2002
2-ethyl-4-methylimidazoleccc1[nH]cc(c)[nH+]11.000--Brenk et. al., 2006
1-vinylimidazolec=c[n+]1cc[nH]c1-0.1501AEJMusah et. al., 2002
1H-imidazol-2-ylmethanol hydrochlorideocc1[nH]cc[nH+]10.500-2EUUBrenk et. al., 2006
2-ethylimidazoleccc1[nH]cc[nH+]1-0.7301AEQMusah et. al., 2002
pyridinec1cc[nH+]cc1-0.140-Musah et. al., 2002
3-thiophenecarboxamide hydrochloridenc(=[nH2+])c1ccsc1-0.0202AS1Brenk et. al., 2006
2-iminopiperidine hydrochloride[nH2+]=c1ccccN10.130-2AS2Brenk et. al., 2006
1,2-dimethylimidazolecc1[nH]cc[n+]1c-0.0271CMPFitzgerald et. al., 1996
2-amino-4-methylthiazolecc1csc([nH+]1)n-0.2301AEHMusah et. al., 2002
4-aminopyridinec1c[nH+]ccc1n-0.0401AEGMusah et. al., 2002
3-pyridylcarbinolocc1ccc[nH+]c10.500--Brenk et. al., 2006
indolinec2ccc1[nH2+]ccc1c2-0.1601AEKMusah et. al., 2002
3,4-diaminopyridinenc1cc[nH+]cc1n0.500--Brenk et. al., 2006
2-amino-4-methylpyridinecc1cc[nH+]c(n)c10.250-2EUTBrenk et. al., 2006
2,4-diaminopyridinenc1cc[nH+]c(n)n1-0.0502EUNBrenk et. al., 2006
2-amino-5-methylpyridinecc1ccc(n)[nH+]c1-0.0402EUPBrenk et. al., 2006
2,6-diaminopyridinenc1cccc(n)[nH+]1-0.0602ANZBrenk et. al., 2006
2,5-diaminopyridine hydrochloridenc1ccc(n)[nH+]c10.250-2AQDBrenk et. al., 2006
2-amino-5-methylthiazolecc1c[nH+]c(n)s1-0.0061AENMusah et. al., 2002
2-aminopyridinenc1cccc[nH+]1-0.0501AEOMusah et. al., 2002
3-methylthiazolec[n+]1ccsc1-0.3001AEBMusah et. al., 2002
3,4-dimethylthiazolecc1csc[n+]1c-0.0501AEDMusah et. al., 2002
imidazolec1c[nH+]c[nH]1-0.0701AES*Musah et. al., 2002
benzylamine[nH3+]cc1ccccc10.250-2EUSBrenk et. al., 2006
1-methyl-1,6-dihydropyridin-3-aminec[n+]1cccc(n)c10.250-2EUOBrenk et. al., 2006
imidazo[1,2-a]pyridinec2cc[n+]1cc[nH]c1c2-0.0901AEMMusah et. al., 2002
benzimidazolec2ccc1[nH+]c[nH]c1c2-0.1501RYC*Musah et. al., 2002
Quinolinec2ccc1[nH+]cccc1c2-0.420in-houseMusah et. al., 2002
3-aminopyridinenc1ccc[nH+]c1-0.0501AEF*Musah et. al., 2002
2-aminothiazolenc1[nH+]ccs1-0.0401AEV*Musah et. al., 2002

* Fitzgerald et. al., 1996

Download both binders and decoys with compound structures as excel file