7DXL

Fragment-based Lead Discovery of Indazole-based Compounds as AXL Kinase Inhibitors

Summary for 7DXL

• Entry DOI: 10.2210/pdb7dxl/pdb
• Descriptor: Tyrosine-protein kinase Mer, 3-[4-[6-chloranyl-5-[[(3R)-pyrrolidin-3-yl]amino]-1H-indazol-3-yl]pyrazol-1-yl]benzenecarbonitrile (3 entities in total)
• Functional Keywords: mer i650m kinase domain, axl kinase inhibitors, fragment based lead discovery, oncoprotein, transferase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 68904.59

Authors

Anantharajan, J.,Baburajendran, N. (deposition date: 2021-01-19, release date: 2021-10-13, Last modification date: 2023-11-29)

• Primary citation: Ng, P.S.,Foo, K.,Sim, S.,Wang, G.,Huang, C.,Tan, L.H.,Poulsen, A.,Liu, B.,Tee, D.H.Y.,Ahmad, N.H.B.,Wang, S.,Ke, Z.,Lee, M.A.,Kwek, Z.P.,Joy, J.,Anantharajan, J.,Baburajendran, N.,Pendharkar, V.,Manoharan, V.,Vuddagiri, S.,Sangthongpitag, K.,Hill, J.,Keller, T.H.,Hung, A.W.; Fragment-based lead discovery of indazole-based compounds as AXL kinase inhibitors.; Bioorg.Med.Chem., 49:116437-116437, 2021; PubMed: 34600239; DOI: 10.1016/j.bmc.2021.116437

Experimental method

X-RAY DIFFRACTION (3.146 Å)