Table 6.
Compounds | S Score | Receptor Residue | Interaction | Distance (Å) | E (kcal/mol) |
---|---|---|---|---|---|
Stigmast-5-en-3-ol | −6.8351 | Asp1686 | H-donor | 2.77 | −0.8 |
Zn-α | Metal | 2.07 | −1.7 | ||
Zn-β | Metal | 2.25 | −2.0 | ||
7,8-Dihydro-α-ionone | −6.3427 | Zn-α | Metal | 2.11 | −1.8 |
Zn-β | Metal | 2.13 | −1.7 | ||
α-Amyrin | −6.0751 | Asn 1505 | H-donor | 2.97 | −1.0 |
24-Noroleana-3,12-diene | −5.8697 | His 1473 | H-pi | 4.42 | −0.5 |
Betulin | −5.8655 | Glu 1561 | H-donor | 3.34 | −0.5 |
24-Norursa-3,12-diene | −5.6540 | No important residue |