Ligand

PubChem Id

Formula

Binding Affinity

IUPAC Name

2D structure

α-ketoamide

6482451

C₃₆H₅₃N₅O₁₁

-7.3

(2S)-2-[[2-[[3-[[(2S)-2-[[(2S)-2-cyclohexyl-2-(2-methylpropoxycarbonylamino) acetyl] amino]-3-(1,3-dioxan-2-yl) propanoyl] amino]-2-oxohexanoyl] amino] acetyl] amino]-2-phenylacetic acid

Lupeol

259846

C₃₀H₅₀O

-12.5

(3b)-lup-20(29)-en-3-ol

α -amyrin

73170

C₃₀H₅₀O

-7.9

(3b)-urs-12-en-3-ol

Luteolin

5280445

C₁₅H₁₀O₆

-7.4

2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one