Table 2.

Rank of Consensus Clusters and the Respective Numbers of Probe Clusters

Figure	Protein	Core consensus cluster(s)a,b	Core LEc	Extension consensus cluster(s)a,d	Lead LEc	Same seriese
1A	DPPIV	1(20)	0.66f	2(9), 3(4)	0.37	Y
1B	Thrombin	1(33)	0.4	2(16), 4(5)	0.31	Y
1C,1D	HSP90	1(45)	-g	2(14)	0.29, 0.31	Y, Y
2A	Urokinase	1(29)	0.46	2(26)	0.45f	N
2B	CDK2	1(20)	0.60	4(5), 6(2)	0.30	N
2C	TGT	2(32)	0.65f	1(33), 3(11)	0.45f, 0.47f	Y, Y
4A	MetAp2	1(18), 3(10)	0.89	2(14)	0.55f	N
4B	BACE	1(33), 2(16)	0.32	3(7), 4(3)	0.27	Y
4C	nNOS	1(21), 2(11), 3(11)	0.55	None	0.67	N
4D	COX-1	1(9), 2(4), 3(4)	0.51	None	0.59	Y

^aRank of consensus cluster. The number of probe clusters contained is shown in parenthesis.

^bConsensus clusters overlapping with the core compound.

^cLE is an abbreviation for ligand efficiency determined from IC₅₀ unless otherwise noted (see ^f).

^dConsensus clusters overlapping with the extended ligand but not with the core compound.

^eSame series indicates whether (Y) or not (N) the core fragment is “contained” as a part of the inhibitor.

^fThe LE for this molecule is based on K_i rather than IC₅₀.

^gThe binding affinity is below experimental sensitivity.