| Hit compounds | TKT proteins | ||||||||
---|---|---|---|---|---|---|---|---|---|---|
Pf | Pv | Po | Pm | Pk | Pc | Pb | Py | Hs | ||
Binding affinity (Kcal/mol) | SANC00107 | − 8.4 | − 7.9 | − 8.1 | − 7.8 | − 7.3 | − 8.0 | − 8.4 | − 8.0 | Not binding at active site (− 7.7) |
SANC00411 | − 8.4 | − 7.3 | − 8.1 | − 7.0 | − 7.7 | − 7.2 | − 7.7 | − 7.8 | Not binding at active site (− 7.5) | |
SANC00620 | − 8.5 | − 7.8 | − 8.7 | − 8.5 | − 8.0 | − 7.9 | − 8.0 | − 7.9 | Not binding at active site (− 7.5) | |
HPP | − 5.3 | − 5.1 | − 5.2 | − 5.3 | − 5.7 | − 6.1 | − 5.6 | − 5.9 | Binding at active site (− 5.9) |