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TitleStructure-Based Design of A-1293102, a Potent and Selective BCL-XL Inhibitor
Journal, issue, pagesACS Medicinal Chemistry Letters, Vol. 12, Page 1011-1016, Year 2021
Publish dateJan 21, 2021 (structure data deposition date)
AuthorsTao, Z.F. / Wang, X. / Chen, J. / Ingram, J.P. / Jin, S. / Judge, R.A. / Kovar, P.J. / Park, C. / Sun, C. / Wakefield, B.D. ...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.
External linksACS Medicinal Chemistry Letters / Search PubMed
MethodsX-ray diffraction
Resolution1.409 Å
Structure data

PDB-7lh7:
Crystal structure of BCL-XL in complex with a benzothiazole-based inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.409 Å

Chemicals

ChemComp-XZM:
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

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsAPOPTOSIS / Bcl-xL / structure-based drug design

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