8T7Q

Identification of GDC-1971 (RLY-1971), a SHP2 inhibitor designed for the treatment of solid tumors

Summary for 8T7Q

• Entry DOI: 10.2210/pdb8t7q/pdb
• Descriptor: Tyrosine-protein phosphatase non-receptor type 11, 1-{3-[(2-chlorophenyl)sulfanyl]-1H-pyrazolo[3,4-b]pyrazin-6-yl}-4-methylpiperidin-4-amine (3 entities in total)
• Functional Keywords: phosphatase, tumor target, inhibitor, hydrolase
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 2
• Total formula weight: 121419.85

Authors

Tang, Y.,Nguyen, V.,Wilbur, J.D. (deposition date: 2023-06-21, release date: 2023-10-11, Last modification date: 2023-10-25)

• Primary citation: Taylor, A.M.,Williams, B.R.,Giordanetto, F.,Kelley, E.H.,Lescarbeau, A.,Shortsleeves, K.,Tang, Y.,Walters, W.P.,Arrazate, A.,Bowman, C.,Brophy, E.,Chan, E.W.,Deshmukh, G.,Greisman, J.B.,Hunsaker, T.L.,Kipp, D.R.,Saenz Lopez-Larrocha, P.,Maddalo, D.,Martin, I.J.,Maragakis, P.,Merchant, M.,Murcko, M.,Nisonoff, H.,Nguyen, V.,Nguyen, V.,Orozco, O.,Owen, C.,Pierce, L.,Schmidt, M.,Shaw, D.E.,Smith, S.,Therrien, E.,Tran, J.C.,Watters, J.,Waters, N.J.,Wilbur, J.,Willmore, L.; Identification of GDC-1971 (RLY-1971), a SHP2 Inhibitor Designed for the Treatment of Solid Tumors.; J.Med.Chem., 66:13384-13399, 2023; PubMed: 37774359; DOI: 10.1021/acs.jmedchem.3c00483

Experimental method

X-RAY DIFFRACTION (2.1 Å)