6XE4

BTK Fluorocyclopropyl amide inhibitor, Compound 25

Summary for 6XE4

• Entry DOI: 10.2210/pdb6xe4/pdb
• Descriptor: Tyrosine-protein kinase BTK, (1S,2S)-N-[2'-(6-tert-butyl-8-fluoro-1-oxophthalazin-2(1H)-yl)-3'-(hydroxymethyl)-1-methyl-6-oxo[1,6-dihydro[3,4'-bipyridine]]-5-yl]-2-fluorocyclopropane-1-carboxamide, SULFATE ION, ... (4 entities in total)
• Functional Keywords: kinase, inhibitor, inflammation, drug, transferase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 34558.39

Authors

Kiefer, J.R.,Crawford, J.J.,Lee, W.,Eigenbrot, C.,Yu, C. (deposition date: 2020-06-11, release date: 2020-07-22, Last modification date: 2024-03-06)

• Primary citation: Crawford, J.J.,Lee, W.,Johnson, A.R.,Delatorre, K.J.,Chen, J.,Eigenbrot, C.,Heidmann, J.,Kakiuchi-Kiyota, S.,Katewa, A.,Kiefer, J.R.,Liu, L.,Lubach, J.W.,Misner, D.,Purkey, H.,Reif, K.,Vogt, J.,Wong, H.,Yu, C.,Young, W.B.; Stereochemical Differences in Fluorocyclopropyl Amides Enable Tuning of Btk Inhibition and Off-Target Activity.; Acs Med.Chem.Lett., 11:1588-1597, 2020; PubMed: 32832028; DOI: 10.1021/acsmedchemlett.0c00249

Experimental method

X-RAY DIFFRACTION (1.6 Å)