6NPU

C-abl Kinase domain with the activator(cmpd29), N-(1-(3,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl)acetamide

Summary for 6NPU

• Entry DOI: 10.2210/pdb6npu/pdb
• Descriptor: Tyrosine-protein kinase ABL1, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, ~{N}-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]ethanamide, ... (7 entities in total)
• Functional Keywords: activator, kinase, allosteric, signaling protein, transferase
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 71643.34

Authors

Campobasso, N. (deposition date: 2019-01-18, release date: 2019-03-13, Last modification date: 2024-03-13)

• Primary citation: Simpson, G.L.,Bertrand, S.M.,Borthwick, J.A.,Campobasso, N.,Chabanet, J.,Chen, S.,Coggins, J.,Cottom, J.,Christensen, S.B.,Dawson, H.C.,Evans, H.L.,Hobbs, A.N.,Hong, X.,Mangatt, B.,Munoz-Muriedas, J.,Oliff, A.,Qin, D.,Scott-Stevens, P.,Ward, P.,Washio, Y.,Yang, J.,Young, R.J.; Identification and Optimization of Novel Small c-Abl Kinase Activators Using Fragment and HTS Methodologies.; J. Med. Chem., 62:2154-2171, 2019; PubMed: 30689376; DOI: 10.1021/acs.jmedchem.8b01872

Experimental method

X-RAY DIFFRACTION (2.33 Å)