8HTS

Crystal structure of Bcl2 in complex with S-10r

Summary for 8HTS

• Entry DOI: 10.2210/pdb8hts/pdb
• Descriptor: Apoptosis regulator Bcl-2, 4-[2-[(2~{S})-2-(2-cyclopropylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide (3 entities in total)
• Functional Keywords: inhibitor, apoptosis
• Biological source: Homo sapiens
• Total number of polymer chains: 1
• Total formula weight: 20629.04

Authors

Liu, J.,Xu, M.,Feng, Y.,Liu, Y. (deposition date: 2022-12-21, release date: 2024-05-15, Last modification date: 2024-06-05)

• Primary citation: Guo, Y.,Xue, H.,Hu, N.,Liu, Y.,Sun, H.,Yu, D.,Qin, L.,Shi, G.,Wang, F.,Xin, L.,Sun, W.,Zhang, F.,Song, X.,Li, S.,Wei, Q.,Guo, Y.,Li, Y.,Liu, X.,Chen, S.,Zhang, T.,Wu, Y.,Su, D.,Zhu, Y.,Xu, A.,Xu, H.,Yang, S.,Zheng, Z.,Liu, J.,Yang, X.,Yuan, X.,Hong, Y.,Sun, X.,Guo, Y.,Zhou, C.,Liu, X.,Wang, L.,Wang, Z.; Discovery of the Clinical Candidate Sonrotoclax (BGB-11417), a Highly Potent and Selective Inhibitor for Both WT and G101V Mutant Bcl-2.; J.Med.Chem., 67:7836-7858, 2024; PubMed: 38695063; DOI: 10.1021/acs.jmedchem.4c00027

Experimental method

X-RAY DIFFRACTION (1.25 Å)