Compound | Gold score | Residues | Interactions |
---|---|---|---|
δ-Cadinene | 49.89 | Trp82 | Pi-Alkyl |
 |  | Trp82 | Pi-Alkyl |
 |  | Trp82 | Pi-Alkyl |
 |  | Trp82 | Pi-Alkyl |
 |  | Tyr128 | Pi-Alkyl |
 |  | His438 | Pi-Alkyl |
t-Cadinol | 53.46 | Trp82 | Pi-Alkyl |
 |  | Trp82 | Pi-Sigma |
 |  | Ala328 | Alkyl |
 |  | His438 | Alkyl |
(E)-Cinnamaldehyde | 44.42 | Trp82 | Pi-Pi Stacked |
 |  | His438 | Pi-Pi Stacked |
Cinnamaldehyde dimethyl acetal | 48.17 | Trp82 | Pi-Pi Stacked |
 |  | Trp332 | H-Bonding |
(E)-Cinnamic acid | 54.52 | Asp70 | H-Bonding |
 |  | Trp82 Trp332 His438 | Pi-Pi Stacked H-Bonding Pi-Pi Stacked |
α-Copaene | 49.48 | Trp82 | Pi-Alkyl |
 |  | Trp82 | Pi-Alkyl |
 |  | Trp82 | Pi-Alkyl |
 |  | Trp82 | Alkyl |
 |  | Trp82 | Alkyl |
 |  | Trp430 | Pi-Alkyl |
 |  | Ala328 | Pi-Alkyl |
 |  | Ala328 | Alkyl |
 |  | Phe329 | Alkyl |
 |  | Tyr332 | Alkyl |
α-Muurolene | 48.53 | Trp82 | Pi-Alkyl |
 |  | Trp82 | Alkyl |
 |  | Trp82 | Pi-Sigma |
 |  | Tyr440 | Alkyl |
 |  | Ala328 | Alkyl |
 |  | Ala328 | Pi-Alkyl |
 |  | Phe329 | Alkyl |
 |  | His438 | Pi-Alkyl |
 |  | His438 | Alkyl |