6NE5

Discovery of Potent Myeloid Cell Leukemia-1 (Mcl-1) Inhibitors that Demonstrate in vivo Activity in Mouse Xenograft Models of Human Cancer

6NE5 の概要

関連するPDBエントリー6BW2
分子名称Induced myeloid leukemia cell differentiation protein Mcl-1, 3-[(4R)-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-1-oxo-6-(1,3,5-trimethyl-1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-2(1H)-yl]-1-methyl-1H-indole-5-carboxylic acid (3 entities in total)
機能のキーワードstructure based drug discovery; apoptosis; cancer; mcl-1; drug discovery, apoptosis
由来する生物種Homo sapiens (Human)
ポリマー鎖数4
分子量合計74988.73
構造登録者
Zhao, B. (登録日: 2018-12-17, 公開日: 2019-04-17, 最終更新日: 2019-05-08)
主引用文献
Lee, T.,Christov, P.P.,Shaw, S.,Tarr, J.C.,Zhao, B.,Veerasamy, N.,Jeon, K.O.,Mills, J.J.,Bian, Z.,Sensintaffar, J.L.,Arnold, A.L.,Fogarty, S.A.,Perry, E.,Ramsey, H.E.,Cook, R.S.,Hollingshead, M.,Davis Millin, M.,Lee, K.M.,Koss, B.,Budhraja, A.,Opferman, J.T.,Kim, K.,Arteaga, C.L.,Moore, W.J.,Olejniczak, E.T.,Savona, M.R.,Fesik, S.W.
Discovery of Potent Myeloid Cell Leukemia-1 (Mcl-1) Inhibitors That Demonstrate in Vivo Activity in Mouse Xenograft Models of Human Cancer.
J.Med.Chem., 62:3971-3988, 2019
PubMed: 30929420 (主引用文献が同じPDBエントリー)
DOI: 10.1021/acs.jmedchem.8b01991
MImport into Mendeley
実験手法
X-RAY DIFFRACTION (1.85 Å)
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構造検証レポート

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.20620 0.6% 1.7%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
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