6NO9
PIM1 in complex with Cpd16 (5-amino-N-(5-((4R,5R)-4-amino-5-fluoroazepan-1-yl)-1-methyl-1H-pyrazol-4-yl)-2-(2,6-difluorophenyl)thiazole-4-carboxamide)
Summary for 6NO9
| Entry DOI | 10.2210/pdb6no9/pdb |
| Descriptor | Serine/threonine-protein kinase pim-1, GLYCEROL, PHOSPHATE ION, ... (5 entities in total) |
| Functional Keywords | kinase, transferase |
| Biological source | Homo sapiens (Human) |
| Total number of polymer chains | 1 |
| Total formula weight | 32265.33 |
| Authors | Murray, J.M.,Noland, C. (deposition date: 2019-01-15, release date: 2019-02-27, Last modification date: 2023-10-11) |
| Primary citation | Wang, X.,Blackaby, W.,Allen, V.,Chan, G.K.Y.,Chang, J.H.,Chiang, P.C.,Diene, C.,Drummond, J.,Do, S.,Fan, E.,Harstad, E.B.,Hodges, A.,Hu, H.,Jia, W.,Kofie, W.,Kolesnikov, A.,Lyssikatos, J.P.,Ly, J.,Matteucci, M.,Moffat, J.G.,Munugalavadla, V.,Murray, J.,Nash, D.,Noland, C.L.,Del Rosario, G.,Ross, L.,Rouse, C.,Sharpe, A.,Slaga, D.,Sun, M.,Tsui, V.,Wallweber, H.,Yu, S.F.,Ebens, A.J. Optimization of Pan-Pim Kinase Activity and Oral Bioavailability Leading to Diaminopyrazole (GDC-0339) for the Treatment of Multiple Myeloma. J. Med. Chem., 62:2140-2153, 2019 Cited by PubMed Abstract: Pim kinases have been targets of interest for a number of therapeutic areas. Evidence of durable single-agent efficacy in human clinical trials validated Pim kinase inhibition as a promising therapeutic approach for multiple myeloma patients. Here, we report the compound optimization leading to GDC-0339 (16), a potent, orally bioavailable, and well tolerated pan-Pim kinase inhibitor that proved efficacious in RPMI8226 and MM.1S human multiple myeloma xenograft mouse models and has been evaluated as an early development candidate. PubMed: 30715878DOI: 10.1021/acs.jmedchem.8b01857 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (1.712 Å) |
Structure validation
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