Table 3. Docking scores for compounds 1 to 14 from RA1 for the proteolytic domain of Rgp and for the hemaglutinin (HA) domain and correlation of the respective docking scores for Rgp with Arg-gingipain activity as determined within the protease assay (Rgp activity at 50 μM in %, related to the untreated control groups).

Compound	Proteolytic domain		HA domain
	Docking score [kcal/mol)	Rgp activity [%]	Docking score [kcal/mol)
1	−4,44	104	−5,91
2	−4,60	108	−5,55
3	−3,68	n.d.	−6,73
4	−4,28	n.d.	−5,61
5	−4,80	81	−6,96
6	−4,95	76	−7,34
7	−5,77	94	−7,22
8	−6,11	29	−8,53
9	−6,44	31	−8,19
10	−5,91	19	−8,18
11	−5,36	84	−8,75
12	−6,04	16	−8,62
13	−6,54	34	−8,47
14	−5,78	69	−7,81