Figure 1 of Sapitro, Mol Vis 2010; 16:1880-1892.


Figure 1. Docking results of SB-505124 (atom colors) in the ALK-5 ATP-binding pocket. The main interactions between SB-505124 and ALK-5 were seen to be between His-283 and Ser-280, which is located at the ATP binding site in the intracellular ALK-5 kinase domain. Additionally, a water molecule seems to form a hydrogen-bonding bridge between SB-505124 and amino acids Asp-351, Glu-245 and Tyr-249. Also shown is the overlay of a 1,5-naphthyridine compound which is (in green) co-crystallized with ALK-5.