Table 2. Non-covalent connections of compounds with specific proteins as well as their binding connections.
|
CID |
Amino Acid Residues |
Bond type |
Distance (Å) |
Docking score (Kcal/mol) |
|
5280453
|
Phe62 Thr65 Ile8 Ile55 Ile67 His112 His112 Phe10 Tyr64 Phe62 Phe62 Phe62 |
H H A A A PA PA PA PA PA PA PA |
4.57 4.66 5.51 5.51 5.25 6.30 6.42 5.39 5.07 3.52 4.91 5.56 |
-6.8Kcal/mol
|
|
22215820
|
Leu32 Leu32 Trp46 Trp46 Trp46 Leu31 Leu31 Tyr39 Tyr39 |
A A PS PA PA A A PA PA |
5.68 5.98 4.52 5.46 5.04 5.98 4.76 6.29 4.26 |
-6.6Kcal/mol |
|
998
|
Leu26 Leu42 Ala43 Leu116 |
PA PA PA PA |
5.70 5.36 4.90 6.55 |
-5.6Kcal/mol |
|
62603
|
Ile8 His112 Phe10 Cys9 |
PS PA PA A |
4.58 5.88 4.58 5.47 |
-5.5Kcal/mol |
Where, H, A, PA, and PS symbolize hydrogen, alkyl, Pi-Alkyl, and Pi-sigma relations, respectively. The relationship distance is calculated in Å.