Skip to main content
. 2022 Jan 1;27(1):264. doi: 10.3390/molecules27010264

Table 1.

Affinity scores determined by molecular coupling (AutoDock), as well as the inhibition constants (Ki), and interaction distance between the boron residue and Serine 624 of the fibroblast activation protein (FAP) for each boroPro ligand.

Ligand: boroPro Affinity (kcal/mol) Ki (nM) Distance Ser624-Boro (Å)
N-acyl-Gly-boroPro
Inline graphic
−4.80 296.46 3.398
N-(pyridine-4-carbonyl)-D-Ala-boroPro)
Inline graphic
−6.60 14.07 3.657
iFAP
Inline graphic
−8.53 0.536 3.274