The binding mode of BMS-8 with one PD-L1 monomer is often more stable than with another PD-L1 monomer, and the small molecules that induce PD-L1 dimerization are further stabilized through non-polar interactions of Ile54, Tyr56, Met115, Ala121, and Tyr123 on the two monomers, as well as the water bridge involved in ALys124.