Assessment of the structure-activity relationship of analogs of the Naegleria fowleri enolase inhibitor HEX
Authors of publication
Kwain, Samuel; Morris, James W. D.; McKeon, Jillian Elisa Milanes; Roster, Colm P.; Noori, Monireh; Gibbs, Aysiah R.; Stevenson III, Robert L; McMillen, Colin; Dominy, Brian N.; Morris, James C.; Whitehead, Daniel Charles
Journal of publication
RSC Medicinal Chemistry
Year of publication
2025
a
8.3552 ± 0.0002 Å
b
6.4722 ± 0.0002 Å
c
18.7224 ± 0.0005 Å
α
90°
β
90.8761 ± 0.0009°
γ
90°
Cell volume
1012.32 ± 0.05 Å3
Cell temperature
300 ± 2 K
Ambient diffraction temperature
300 ± 2 K
Number of distinct elements
5
Space group number
14
Hermann-Mauguin space group symbol
P 1 21/n 1
Hall space group symbol
-P 2yn
Residual factor for all reflections
0.0592
Residual factor for significantly intense reflections
0.0461
Weighted residual factors for significantly intense reflections
0.1065
Weighted residual factors for all reflections included in the refinement
0.1202
Goodness-of-fit parameter for all reflections included in the refinement
