Clarification of the Binding Mode of Benzolactams
J ournal of Medicinal Chemistry, 1998, Vol. 41, No. 9 1495
acetate (Protein Data Bank code 1PTR)13 by removing the
phorbol 13-acetate molecule. All hydrogen atoms that are
missing in the crystal structure but should exist in the protein
structure were computationally located at appropriate posi-
tions and optimized further by the AMBER program.
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(11) Fujiki, H. Personal communication. The same amounts (5.5
nmol/application) of (-)-BL-V8-310 and teleocidin B-4 induced
tumors on mouse skin initiated with 7,12-dimethylbenz[a]-
anthracene (DMBA) in 13.3% and 86.7%, respectively, of tumor-
bearing mice in week 20.
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Iwashima, A. Synthesis and biological activities of fluorine-
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(14) A part of this work has been reported in preliminary form: Itai,
A.; Matsuo, A.; Mizutani, M.; Tomioka, N.; Sitaka, M.; Endo,
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(15) A part of this work has been reported in a preliminary form.
Endo, Y.; Ohno, M.; Takehana, S.; Driedger, P. E.; Stabel, S.;
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Su p p or tin g In for m a tion Ava ila ble: 1H NMR data for
the compounds including synthetic intermediates and the
epimers of the target molecules (9 pages). Ordering informa-
tion is given on any current masthead page.
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