Table 2.

NOE constrains based on the upper limit distance of the bound form U46619 used to generate 3D conformation.

Proton pairs	Distance (Å)	Proton pairs	Distance (Å)
H19 / H20	2.7	H18 / H20	3.5
H17 / H18	2.7	H17 / H19	2.7
H16 / H18	2.7	H16 / H19	2.7
H16 / H17	2.7	H12 / H8	2.7
H4 / H3	2.7	H2 / H3	2.7
H7-2 / H8	3.5	H10b / H9	3.5
H8 / H9	2.7	H10a / H9	5.0
H9 / H2C-1	2.7	H10b / H2C-1	3.5
H10a / H2C-1	2.7	H9 / H2C-2	3.5
H7-2 / H2C-2	3.5	H2C-2 / H12	3.5
H15 / H18	3.5	H15 / H19	3.5
H15 / H16	5.0	H11 / H2C-1	5.0
H11 / H9	5.0	H11 / H8	3.5
H11 / H4	5.0	H11 / H18	5.0
H11 / H19	5.0	H11 / H10a	5.0
H11 / H10b	3.5	H5,H6 / H7-2	3.5
H13,H14 / H20	5.0	H13,H14 / H18	3.5
H13,H14 / H19	3.5	H13,H14 / H8	2.7
H13,H14 / H12	2.7	H13,H14 / H9	5.0
H13,H14 /H2C-1	5.0	H13,H14/H2C-2	5.0
H13,H14 / H7-1	5.0	H13,H14 / H7-2	3.5
H13,H14 / H11	5.0	H13,H14 / H15	2.7