| Compounds | (kcal/mol) | KI | Putative polar interactions | Hydrophobic residues in 5 Å region |
| T5224ψ | −9.96 | 49.64 nM | Arg158, Asn271, Ser278, Arg279, Lys282 | Ala274, Ala275, Leu283 | CHC011* | −9.59 | −93.25 nM | Arg272, Lys282 | Ile273, Ala275, Leu283 | CHC009* | −9.52 | 104.26 nM | Arg158 | Leu283 | CHC007* | −9.15 | 196.96 nM | Arg155, Arg158, Lys282 | Leu283 | BJC004* | −9.12 | 207.86 nM | Lys153 | Ala150, Ala151 | BJC005* | −8.94 | 277.86 nM | Arg155, Arg158, Lys280, Lys282 | Ala275, Leu283, Ile286 | Curcumin sulphate | −8.20 | 976.64 nM | Arg158, Lys280, Lys282 | Leu283 | CHC010* | −6.73 | 11.59 μM | Ser278, Arg279 | Ala274, Ala275 | CHC008* | −5.86 | 50.65 μM | Arg155, Arg158, Ser-276, Lys282 | Leu283 | Cyclocurcumin | −5.75 | 61.42 μM | Arg155, Arg158 | Ala151, Leu283 | CHC003* | −5.73 | 62.98 μM | Arg158, Arg279, Lys280, Lys282 | Ala275, Leu283 | Demethoxycurcumin | −5.72 | 63.86 μM | Arg155, Arg158, Ser276, Arg279 | Ala275, Leu283 | BJC003* | −5.69 | 67.22 μM | Arg158, Arg279 | Leu283 | CHC004* | −5.66 | 71.36 μM | Arg158, Lys280, Lys282 | Leu283 | CHC006* | −5.45 | 101.79 μM | Arg158, Arg279 | Leu283 | CHC002* | −5.32 | 125.57 μM | Arg155, Arg158, Arg279, Lys280, Lys282 | Ala275, Leu283 | Bisdemethoxycurcumin | −5.30 | 130.44 μM | Arg158, Ser276, Arg279 | Leu283 | Curcumin (keto) | −5.27 | 136.46 μM | Arg158, Asn271, Arg279, Lys282 | Ala274, Ala275, Leu283 | Curcumin (enol) | −5.25 | 141.66 μM | Arg158, Ser276, Lys282 | Ala275, Leu283 | CHC005* | −5.24 | 144.93 μM | Arg158 | Leu283 | CHC001* | −5.19 | 156.49 μM | Arg158, Lys282 | Ala275, Leu283, Ile286 | α-Turmerone | −5.13 | 172.61 μM | Lys282 | Ala150, Ala151, Leu283 | β-Turmerone | −5.05 | 197.55 μM | Lys282 | Ala275, Leu283 | Tetrahydrocurcumin | −5.05 | 199.62 μM | Arg155, Arg158, Ser276, Arg279 | Leu283 | Curcumin glucuronide | −4.61 | 418.23 μM | Arg155, Arg158, Arg279, Lys282 | Ala151, Leu283, Ile286 | Dihydroguaiaretic acidψ | −4.43 | 569.58 μM | Ser278, Arg279 | Ala151, Ala275, Leu283 | Resveratrolψ | −4.20 | 829.30 μM | Ser154, Lys282 | Ala151, Leu283 | Hexahydrocurcuminol | −4.08 | 1.02 mM | Arg155, Arg158, Ser276, Lys280, Lys282 | Ala275, Leu283 | Hexahydrocurcumin | −4.07 | 1.04 mM | Arg158, Ser276, Arg279 | Ala275, Leu283, Ile286 |
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