Table 1.

Results of the docking calculations for hCTLA-4 and hCD80.

SERM	hCTLA-4 domain (PDB ID 3OSK, chain B)		hCD80 (coordinates from PDB ID 1I8L, chain B)
	Docking score (kcal/mol)	Approximate Ki (µM)	Docking score (kcal/mol)	Approximate Ki (µM)
Bazedoxifene	− 6.2	28.5	− 4.7	358
Clomifene	− 5.3		− 4.3
Cyclophenyl	− 5.0		− 5.0
Estradiol	− 6.2	28.5	− 6.7	12.25
Estrane	− 4.6		− 4.6
Estriol	− 5.5	93	− 5.8	60
Estrone	− 5.9	47.3	− 7.1	6.24
Genistein	− 4.9		− 5.5	93
Genistin	− 5.3		− 5.6	78.46
Luteolin	− 5.3		− 5.9	47.29
Quercetin	− 5.4	110	− 5.4	110
Quinestrol	− 6.8	10.4	− 6.1	33.74
Raloxifene	− 5.8	56	− 5.4
Ridaifen-b	− 5.2		− 5.0
Tamoxifen	− 5.0		− 4.6
Toremifene	− 4.8		− 4.5
XL-147	− 6.1	33.8	− 5.5	93