7TNH
Crystal structure of CSF1R kinase domain in complex with DP-6233
Summary for 7TNH
| Entry DOI | 10.2210/pdb7tnh/pdb |
| Descriptor | Macrophage colony-stimulating factor 1 receptor,Fibroblast growth factor receptor 1 chimera, SODIUM ION, CHLORIDE ION, ... (5 entities in total) |
| Functional Keywords | human csr1r kinase, cancer, transferase |
| Biological source | Homo sapiens (human) More |
| Total number of polymer chains | 1 |
| Total formula weight | 39083.07 |
| Authors | Edwards, T.E.,Arakaki, T.L.,Chun, L.,Flynn, D.L. (deposition date: 2022-01-21, release date: 2022-08-24, Last modification date: 2023-10-18) |
| Primary citation | Caldwell, T.M.,Kaufman, M.D.,Wise, S.C.,Mi Ahn, Y.,Hood, M.M.,Lu, W.P.,Patt, W.C.,Samarakoon, T.,Vogeti, L.,Vogeti, S.,Yates, K.M.,Bulfer, S.L.,Le Bourdonnec, B.,Smith, B.D.,Flynn, D.L. Discovery of acyl ureas as highly selective small molecule CSF1R kinase inhibitors. Bioorg.Med.Chem.Lett., 74:128929-128929, 2022 Cited by PubMed Abstract: Based on the structure of an early lead identified in Deciphera's proprietary compound collection of switch control kinase inhibitors and using a combination of medicinal chemistry guided structure activity relationships and structure-based drug design, a novel series of potent acyl urea-based CSF1R inhibitors was identified displaying high selectivity for CSF1R versus the other members of the Type III receptor tyrosine kinase (RTK) family members (KIT, PDGFR-α, PDGFR-β, and FLT3), VEGFR2 and MET. Based on in vitro biology, in vitro ADME and in vivo PK/PD studies, compound 10 was selected as an advanced lead for Deciphera's CSF1R research program. PubMed: 35961461DOI: 10.1016/j.bmcl.2022.128929 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (2.7 Å) |
Structure validation
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