| Ligands | Protein | Binding affinity (kcal/mol) | Interacting amino acids |
| Diclofenac Na | 5KIR | –7.1 | Phe518, Val523, Met522, Leu352, Trp387, Ser530, Tyr385, Ala527, Val349, Ser353, Arg120, Tyr355 | Ibuprofen | –7.3 | Tyr355, His90, Phe518, Val523, Ala527, Ser530, Tyr385, Gly526, Trp387, Val349, Ser353, Leu352, Arg513 | Rofecoxib | –9.7 | Phe518, Ile517, Ala516, Arg513, His90, Leu352, Trp387, Met522, Ala527, Gly526, Val349, Val523, Ser353, Gln192, Tyr355 | Vanillic acid | –6.3 | Leu390, Ala199, Trp387, Glu203, Ala202, Thr206, His207, His388, Tyr385, His386, Leu391 | Oleanolic acid | –8.1 | Gln192, Gly354, His351, Asn350, Asp347, Ile564, Tyr355, His356 | Maslinic acid | –7.7 | Tyr355, His356, Gln192, His351, Phe580, Gly354, Asp347, Ser579, Ile564 | Luteolin | –9.6 | Tyr385, Ser530, Val349, Ser353, Trp387, Leu352, Phe518, Tyr355, Val523, His90, Ile517, Ala516, Gln192 | Myricetin | –8.8 | Tyr385, Ala527, Gly526, Val349, His90, Ser353, Tyr355, Gln192, Val523, Ile517, Phe518, Leu352, Ala516, Trp387, Leu384, Ser530, | Ellagic acid | –8.3 | Phe580, Ser581, His351, Asp347, Tyr355, Asn350, Ser579 |
|
|