Structure of TAK1 in complex with compound 54

Structure of TAK1 in complex with compound 54 Descriptor: 2-[[5-[[2-[bis(fluoranyl)methoxy]phenyl]methyl-[(2~{R})-1-(methylamino)-1-oxidanylidene-propan-2-yl]carbamoyl]-1~{H}-imidazol-2-yl]carbonyl]isoindole-5-carboxamide, DIMETHYL SULFOXIDE, GLYCEROL, ... Authors: Veerman, J.J.N, Bruseker, Y.B, Damen, E, Heijne, E.H, van Bruggen, W, Hekking, K.F.W, Winkel, R, Hupp, C.D, Keefe, A.D, Liu, J, Thomson, H.A, Zhang, Y, Cuozzo, J.W, McRiner, A.J, Mulvihill, M.J, van Rijnsbergen, P, Zech, B, Renzetti, L.M, Babiss, L, Mueller, G. Deposit date: 2021-03-09 Release date: 2021-04-07 Last modified: 2024-06-19 Method: X-RAY DIFFRACTION (1.97 Å) Cite: Discovery of 2,4-1 H -Imidazole Carboxamides as Potent and Selective TAK1 Inhibitors. Acs Med.Chem.Lett., 12, 2021

TAK1与化合物54复合物的结构 描述符：2-[[5-[[2-[双(氟代)甲氧基]苯基]甲基-[(2R)-1-(甲氨基)-1-氧代丙-2-基]氨基甲酰基]-1H-咪唑-2-基]羰基]异吲哚-5-甲酰胺、二甲亚砜、甘油…… 作者：Veerman, J.J.N、Bruseker, Y.B、Damen, E、Heijne, E.H、van Bruggen, W、Hekking, K.F.W、Winkel, R、Hupp, C.D、Keefe, A.D、Liu, J、Thomson, H.A、Zhang, Y、Cuozzo, J.W、McRiner, A.J、Mulvihill, M.J、van Rijnsbergen, P、Zech, B、Renzetti, L.M、Babiss, L、Mueller, G. 沉积日期：2021-03-09 发布日期：2021-04-07 最后修改日期：2024-06-19 实验方法：X射线衍射（分辨率1.97埃） 引用文献：《2,4-1H-咪唑甲酰胺类强效选择性TAK1抑制剂的发现》，发表于《ACS药物化学快报》（Acs Med.Chem.Lett.），2021年，第12卷。