Predicted binding affinities of designed compounds.

Compound	R1	R2	Affinity (kcal mol−1)
ELR510444	CN	H	−11.1
C1	CF2	H	−11.0
C2	CF3	H	−11.2
C3	CH2CH3	H	−10.5
C4	CH2OH	H	−10.6
C5	CH2NHCH3	H	−10.1
C6	CONHCH3	H	−11.0
C7	CCH	H	−11.3
C8	CCCH3	H	−11.2
C9	CHCH2	H	−10.6
C10	CH(CH2)2	H	−11.0
C11	CH2CONH2	H	−11.2
C12	OCONH2	H	−11.0
C13	NHCOH	H	−10.6
C14	NHCOCH3	H	−11.3
C15	NHCONH2	H	−11.5
C16	NHCOOCH3	H	−10.9
C17	NHSO2CH3	H	−10.4
C18	SO2NH2	H	−10.5
C19	CN	F	−11.2
C20	CN	Cl	−10.5
C21	CN	CH3	−10.9
C22	NHCONH2	F	−11.7