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GENERAL
TITLE
DISCOVERY OF N-(3-(5-((3-ACRYLAMIDO-4-(MORPHOLINE-4-CARBONYL)PHENYL) AMINO)-1-METHYL-6-OXO-1,6-DIHYDROPYRIDIN-3-YL)-2-METHYLPHENYL)-4- (TERT-BUTYL)BENZAMIDE (CHMFL-BTK-01) AS A HIGHLY SELECTIVE IRREVERSIBLE BTK KINASE INHIBITOR
DATE LAST MODIFIED
4 Oct 2017
RELEASE
19 Apr 2017
OBSOLETE
CLASSIFICATION
TRANSFERASE/TRANSFERASE INHIBITOR
EXPERIMENT TYPE
X-RAY DIFFRACTION
SPACE GROUP
P 1 21 1
RESOLUTION RANGE HIGH
1.59
RESOLUTION RANGE LOW
48.63
PUBMED ID
DOI
10.1016/J.EJMECH.2017.03.001
PDBe
5J87
LIGANDS
Chains
| Structure Chain | Target Protein | Gene | Expression System | Organism | Synonims | Actions |
|---|---|---|---|---|---|---|
| P9WMF1 | BTK, AGMX1, ATK, BPK | SPODOPTERA FRUGIPERDA | HUMAN | AGAMMAGLOBULINEMIA TYROSINE KINASE,ATK,B-CELL PROG ... | ||
| P09955 | BTK, AGMX1, ATK, BPK | SPODOPTERA FRUGIPERDA | HUMAN | AGAMMAGLOBULINEMIA TYROSINE KINASE,ATK,B-CELL PROG ... | ||
| P09955 | BTK, AGMX1, ATK, BPK | SPODOPTERA FRUGIPERDA | HUMAN | AGAMMAGLOBULINEMIA TYROSINE KINASE,ATK,B-CELL PROG ... | ||
| P09955 | BTK, AGMX1, ATK, BPK | SPODOPTERA FRUGIPERDA | HUMAN | AGAMMAGLOBULINEMIA TYROSINE KINASE,ATK,B-CELL PROG ... |
NGL Viewer is used for the molecular visualization.
- AS Rose, AR Bradley, Y Valasatava, JM Duarte, A Prlić and PW Rose. NGL viewer: web-based molecular graphics for large complexes. Bioinformatics: bty419, 2018. doi:10.1093/bioinformatics/bty419
- AS Rose and PW Hildebrand. NGL Viewer: a web application for molecular visualization. Nucl Acids Res (1 July 2015) 43 (W1): W576-W579 first published online April 29, 2015. doi:10.1093/nar/gkv402