6UVD

Crystal structure of BCL-XL bound to compound 2: (2R)-3-(Benzylsulfanyl)-2-({[(4-methylphenyl)methyl] [(4 phenylphenyl)carbonyl] carbamoyl}amino) propanoic acid

Summary for 6UVD

• Entry DOI: 10.2210/pdb6uvd/pdb
• Descriptor: Bcl-2-like protein 1, (2R)-3-(Benzylsulfanyl)-2-({[(4-methylphenyl)methyl] [(4 phenylphenyl)carbonyl] carbamoyl}amino) propanoic acid, SULFATE ION, ... (5 entities in total)
• Functional Keywords: apoptosis, bcl-2 family, bcl-xl, inhibitor, apoptosis-inhibitor complex, apoptosis/inhibitor
• Biological source: Homo sapiens (Human); More
• Total number of polymer chains: 2
• Total formula weight: 37884.17

Authors

Roy, M.J.,Birkinshaw, R.,Lessene, G.,Czabotar, P.E. (deposition date: 2019-11-02, release date: 2021-05-05, Last modification date: 2023-10-11)

• Primary citation: Roy, M.J.,Vom, A.,Okamoto, T.,Smith, B.J.,Birkinshaw, R.W.,Yang, H.,Abdo, H.,White, C.A.,Segal, D.,Huang, D.C.S.,Baell, J.B.,Colman, P.M.,Czabotar, P.E.,Lessene, G.; Structure-Guided Development of Potent Benzoylurea Inhibitors of BCL-X L and BCL-2.; J.Med.Chem., 64:5447-5469, 2021; PubMed: 33904752; DOI: 10.1021/acs.jmedchem.0c01771

Experimental method

X-RAY DIFFRACTION (2.15 Å)