Structural Matched Pairs

Pairs of structurally similar lead compounds showing how small structural changes affect key properties. Sorted by largest BBB change.

Compound A	Compound B	Similarity	Δ BBB	Δ Docking	Δ 3D PSA
BBP-26281 BBB: 0.49	BBP-25578 BBB: 0.67	0.565	+0.185	+7.5	+31
BBP-27566 BBB: 0.82	BBP-24113 BBB: 0.64	0.472	-0.173	-7.9	-9
BBP-26982 BBB: 0.84	BBP-27464 BBB: 0.69	0.721	-0.154	-0.5	-1
BBP-27036 BBB: 0.87	BBP-28777 BBB: 0.72	0.521	-0.148	+0.0	+0
BBP-02610 BBB: 0.50	BBP-27163 BBB: 0.65	0.452	+0.146	+7.8	-22
BBP-26664 BBB: 0.73	BBP-25747 BBB: 0.60	0.631	-0.135	+0.0	-9
BBP-26624 BBB: 0.71	BBP-27635 BBB: 0.85	0.583	+0.135	+0.0	-9
BBP-20293 BBB: 0.73	BBP-26711 BBB: 0.63	0.403	-0.101	+7.8	-34
BBP-20889 BBB: 0.51	BBP-01675 BBB: 0.42	0.522	-0.095	+0.1	+10
BBP-19792 BBB: 0.76	BBP-25013 BBB: 0.83	0.487	+0.070	+10.2	-34
BBP-27353 BBB: 0.85	BBP-26205 BBB: 0.78	0.708	-0.069	+0.0	+2
BBP-21926 BBB: 0.53	BBP-20906 BBB: 0.47	0.656	-0.067	+0.1	-2
BBP-25173 BBB: 0.53	BBP-23365 BBB: 0.47	0.661	-0.061	+0.4	+0
BBP-26143 BBB: 0.77	BBP-26318 BBB: 0.71	0.481	-0.061	+0.0	+8
BBP-26708 BBB: 0.78	BBP-26237 BBB: 0.84	0.742	+0.052	+0.0	-2
BBP-27599 BBB: 0.82	BBP-25677 BBB: 0.87	0.554	+0.047	+0.0	-1
BBP-26211 BBB: 0.78	BBP-26239 BBB: 0.82	0.618	+0.037	+0.0	+2
BBP-29015 BBB: 0.83	BBP-28029 BBB: 0.79	0.718	-0.036	+2.3	-4
BBP-26661 BBB: 0.69	BBP-28098 BBB: 0.65	0.539	-0.034	+7.8	-18
BBP-24111 BBB: 0.65	BBP-24073 BBB: 0.61	0.857	-0.033	+0.1	-2
BBP-26785 BBB: 0.84	BBP-24876 BBB: 0.87	0.597	+0.025	+0.0	-6
BBP-08861 BBB: 0.54	BBP-15368 BBB: 0.53	0.811	-0.013	+0.1	-7
BBP-27533 BBB: 0.81	BBP-26743 BBB: 0.82	0.797	+0.010	+0.0	-1
BBP-26724 BBB: 0.75	BBP-25651 BBB: 0.76	0.565	+0.009	+0.0	+2
BBP-20936 BBB: 0.65	BBP-19170 BBB: 0.64	0.716	-0.002	+3.2	+0