7LHB

Crystal structure of Bcl-2 in complex with prodrug ABBV-167

Summary for 7LHB

• Entry DOI: 10.2210/pdb7lhb/pdb
• Descriptor: Apoptosis regulator Bcl-2, Phosphoric acid mono-[5-(5-{4-[2-(4-chloro-phenyl)-4,4-dimethyl-cyclohex-1-enylmethyl]-piperazin-1-yl}-2-{3-nitro-4-[(tetrahydro-pyran-4-ylmethyl)-amino]-benzenesulfonylaminocarbonyl}-phenoxy)-pyrrolo[2,3-b]pyridin-7-ylmethyl] ester (3 entities in total)
• Functional Keywords: bcl-2, apoptosis, prodrug, abbv-167
• Biological source: Homo sapiens (Human); More
• Total number of polymer chains: 3
• Total formula weight: 61002.08

Authors

Judge, R.A.,Salem, A.H. (deposition date: 2021-01-21, release date: 2021-04-14, Last modification date: 2023-10-18)

• Primary citation: Salem, A.H.,Tao, Z.F.,Bueno, O.F.,Chen, J.,Chen, S.,Edalji, R.,Elmore, S.W.,Fournier, K.M.,Harper, K.C.,Hong, R.,Jenkins, G.J.,Ji, J.,Judge, R.A.,Kalvass, J.C.,Klix, R.C.,Ku, Y.Y.,Leverson, J.D.,Marks, R.A.,Marsh, K.C.,Menon, R.M.,Park, C.H.,Phillips, D.C.,Pu, Y.M.,Rosenberg, S.H.,Sanzgiri, Y.D.,Sheikh, A.Y.,Shi, Y.,Stolarik, D.,Suleiman, A.A.,Wang, X.,Zhang, G.G.Z.,Catron, N.D.,Souers, A.J.; Expanding the Repertoire for "Large Small Molecules": Prodrug ABBV-167 Efficiently Converts to Venetoclax with Reduced Food Effect in Healthy Volunteers.; Mol.Cancer Ther., 20:999-1008, 2021; PubMed: 33785651; DOI: 10.1158/1535-7163.MCT-21-0077

Experimental method

X-RAY DIFFRACTION (2.068 Å)