7M3Y

Structure of TIM-3 in complex with 8-chloro-2-methyl-9-(3-mehtylpyridin-4-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5(6H)-one (compound 22)

Summary for 7M3Y

• Entry DOI: 10.2210/pdb7m3y/pdb
• Descriptor: Hepatitis A virus cellular receptor 2, (4R,10aP)-8-chloro-2-methyl-9-(3-methylpyridin-4-yl)[1,2,4]triazolo[1,5-c]quinazolin-5(6H)-one, CALCIUM ION, ... (4 entities in total)
• Functional Keywords: igv, immune system
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 12663.83

Authors

Rietz, T.A. (deposition date: 2021-03-19, release date: 2021-10-13, Last modification date: 2023-10-18)

• Primary citation: Rietz, T.A.,Teuscher, K.B.,Mills, J.J.,Gogliotti, R.D.,Lepovitz, L.T.,Scaggs, W.R.,Yoshida, K.,Luong, K.,Lee, T.,Fesik, S.W.; Fragment-Based Discovery of Small Molecules Bound to T-Cell Immunoglobulin and Mucin Domain-Containing Molecule 3 (TIM-3).; J.Med.Chem., 64:14757-14772, 2021; PubMed: 34597046; DOI: 10.1021/acs.jmedchem.1c01336

Experimental method

X-RAY DIFFRACTION (1.69 Å)