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TitleDiscovery of potent Mcl-1/Bcl-xL dual inhibitors by using a hybridization strategy based on structural analysis of target proteins.
Journal, issue, pagesJ. Med. Chem., Vol. 56, Page 9635-9645, Year 2013
Publish dateSep 26, 2013 (structure data deposition date)
AuthorsTanaka, Y. / Aikawa, K. / Nishida, G. / Homma, M. / Sogabe, S. / Igaki, S. / Hayano, Y. / Sameshima, T. / Miyahisa, I. / Kawamoto, T. ...Tanaka, Y. / Aikawa, K. / Nishida, G. / Homma, M. / Sogabe, S. / Igaki, S. / Hayano, Y. / Sameshima, T. / Miyahisa, I. / Kawamoto, T. / Tawada, M. / Imai, Y. / Inazuka, M. / Cho, N. / Imaeda, Y. / Ishikawa, T.
External linksJ. Med. Chem. / PubMed:24215352
MethodsX-ray diffraction
Resolution1.9 - 2.45 Å
Structure data

PDB-3wix:
Crystal structure of Mcl-1 in complex with compound 4
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-3wiy:
Crystal structure of Mcl-1 in complex with compound 10
Method: X-RAY DIFFRACTION / Resolution: 2.15 Å

PDB-3wiz:
Crystal structure of Bcl-xL in complex with compound 10
Method: X-RAY DIFFRACTION / Resolution: 2.45 Å

Chemicals

ChemComp-LC3:
7-(4-carboxyphenyl)-3-[3-(naphthalen-1-yloxy)propyl]pyrazolo[1,5-a]pyridine-2-carboxylic acid

ChemComp-HOH:
WATER

ChemComp-LC6:
7-(4-{[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrophenyl)sulfonyl]carbamoyl}-2-methylphenyl)-3-[3-(naphthalen-1-yloxy)propyl]pyrazolo[1,5-a]pyridine-2-carboxylic acid

ChemComp-PO4:
PHOSPHATE ION

Source
  • homo sapiens (human)
KeywordsAPOPTOSIS / REGULATION

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