7N5Y: Fragment-Based Drug Design of a Novel, Covalent Bruton's Tyrosine Kinase Inhibitor

PDB ID: 7N5YDownload
MMDB ID: 206371
PDB Deposition Date: 2021/6/7
Updated in MMDB: 2023/10
Experimental Method:
x-ray diffraction
Resolution: 1.85  Å
Source Organism:
Similar Structures:
Biological Unit for 7N5Y: monomeric; determined by author and by software (PISA)
Molecular Components in 7N5Y
Label Count Molecule
Protein (1 molecule)
1
Tyrosine-protein Kinase BTK
(Gene symbol: BTK)
Molecule annotation
Chemicals and Non-standard biopolymers (3 molecules)
1
1
IMIDAZOLEIMIDAZOLE
2
1
5-(1-{[(3S)-1-propanoylpyrrolidin-3-yl]oxy}isoquinolin-3-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one5-(1-{[(3S)-1-propanoylpyrrolidin-3-yl]oxy}isoquinolin-3-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
3
1
DIMETHYL SULFOXIDEDIMETHYL SULFOXIDE
* Click molecule labels to explore molecular sequence information.
Citing MMDB
Madej T, Lanczycki CJ, Zhang D, Thiessen PA, Geer RC, Marchler-Bauer A, Bryant SH. " MMDB and VAST+: tracking structural similarities between macromolecular complexes. Nucleic Acids Res. 2014 Jan; 42(Database issue):D297-303