Crystallography Open Database

Information card for entry 1557183

Preview

Coordinates	1557183.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H28 N4 O5
Calculated formula	C26 H28 N4 O5
SMILES	O=C(N1[C@@H](CCc2c(cccc2)C1)C)CN1C(=O)O[C@]2(C1=O)c1c(cc(NC(=O)NC)cc1)CC2
Title of publication	Discovery of Highly Potent, Selective, and Orally Efficacious p300/CBP Histone Acetyltransferases Inhibitors.
Authors of publication	Yang, Yaxi; Zhang, Rukang; Li, Zhaojun; Mei, Lianghe; Wan, Shili; Ding, Hong; Chen, Zhifeng; Xing, Jing; Feng, Huijin; Han, Jie; Jiang, Hualiang; Zheng, Mingyue; Luo, Cheng; Zhou, Bing
Journal of publication	Journal of medicinal chemistry
Year of publication	2020
a	11.7728 ± 0.0011 Å
b	11.7728 ± 0.0011 Å
c	17.1159 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	2372.2 ± 0.4 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	4
Space group number	76
Hermann-Mauguin space group symbol	P 41
Hall space group symbol	P 4w
Residual factor for all reflections	0.0275
Residual factor for significantly intense reflections	0.0266
Weighted residual factors for significantly intense reflections	0.0691
Weighted residual factors for all reflections included in the refinement	0.0699
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
247351 (current)	2020-01-30	cif/ Adding structures of 1557183 via cif-deposit CGI script.	1557183.cif