7LH7

Crystal structure of BCL-XL in complex with a benzothiazole-based inhibitor

Summary for 7LH7

• Entry DOI: 10.2210/pdb7lh7/pdb
• Descriptor: Bcl-2-like protein 1, N-(1,3-benzothiazol-2-yl)-2-(4-{[(4-{[(2R)-4-(morpholin-4-yl)-1-(phenylsulfanyl)butan-2-yl]amino}-3-[(trifluoromethyl)sulfonyl]phenyl)sulfonyl]carbamoyl}-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-8-carboxamide (3 entities in total)
• Functional Keywords: bcl-xl, apoptosis, structure-based drug design
• Biological source: Homo sapiens (Human); More
• Total number of polymer chains: 2
• Total formula weight: 39323.89

Authors

Judge, R.A.,Tao, Z. (deposition date: 2021-01-21, release date: 2021-06-23, Last modification date: 2023-10-18)

• Primary citation: Tao, Z.F.,Wang, X.,Chen, J.,Ingram, J.P.,Jin, S.,Judge, R.A.,Kovar, P.J.,Park, C.,Sun, C.,Wakefield, B.D.,Zhou, L.,Zhang, H.,Elmore, S.W.,Phillips, D.C.,Judd, A.S.,Leverson, J.D.,Souers, A.J.; Structure-Based Design of A-1293102, a Potent and Selective BCL-XL Inhibitor; ACS Medicinal Chemistry Letters, 12:1011-1016, 2021; DOI: 10.1021/acsmedchemlett.1c00162

Experimental method

X-RAY DIFFRACTION (1.409 Å)