Fig 2.
Structure of Myocilin Olfactomecin Domain (white). The binding sites (PKT1: green, PKT2: blue, PKT3: yellow, PKT4: magenta) and their corresponding seed molecules are highlighted and color-coded. Dashed lines around fragments of a ligand indicate the pharmacophore region used for finding similar molecules. LIGSIFT was used to find similar small molecules to the seed ligands marked with asterisk. The identification of each pocket’s amino acids is found in Table S4.