4QVX

Discovery of a Potent and Selective BCL-XL Inhibitor That Demonstrates Thrombocytopenia and Inhibits Tumor Growth in Vivo

Summary for 4QVX

• Entry DOI: 10.2210/pdb4qvx/pdb
• Related: 4TUH
• Descriptor: Bcl-2-like protein 1, 2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl]-5-(3-{4-[3-(dimethylamino)prop-1-yn-1-yl]-2-fluorophenoxy}propyl)-1,3-thiazole-4-carboxylic acid (3 entities in total)
• Functional Keywords: 8 alpha helices, anti-apoptotic, pro-apoptotic, apoptosis-inhibitor complex, apoptosis/inhibitor
• Biological source: Homo sapiens (human); More
• Cellular location: Isoform Bcl-X(L): Mitochondrion inner membrane : Q07817
• Total number of polymer chains: 2
• Total formula weight: 38719.21

Authors

Park, C.H. (deposition date: 2014-07-16, release date: 2015-07-22, Last modification date: 2024-02-28)

• Primary citation: Tao, Z.F.,Hasvold, L.,Wang, L.,Wang, X.,Petros, A.M.,Park, C.H.,Boghaert, E.R.,Catron, N.D.,Chen, J.,Colman, P.M.,Czabotar, P.E.,Deshayes, K.,Fairbrother, W.J.,Flygare, J.A.,Hymowitz, S.G.,Jin, S.,Judge, R.A.,Koehler, M.F.,Kovar, P.J.,Lessene, G.,Mitten, M.J.,Ndubaku, C.O.,Nimmer, P.,Purkey, H.E.,Oleksijew, A.,Phillips, D.C.,Sleebs, B.E.,Smith, B.J.,Smith, M.L.,Tahir, S.K.,Watson, K.G.,Xiao, Y.,Xue, J.,Zhang, H.,Zobel, K.,Rosenberg, S.H.,Tse, C.,Leverson, J.D.,Elmore, S.W.,Souers, A.J.; Discovery of a Potent and Selective BCL-XL Inhibitor with in Vivo Activity.; ACS MED.CHEM.LETT., 5:1088-1093, 2014; PubMed: 25313317; DOI: 10.1021/ml5001867

Experimental method

X-RAY DIFFRACTION (2.1 Å)