4NW5: Rsk2 N-terminal Kinase In Complex With 2-amino-7-substituted Benzoxazole Compound 8

2-Amino-7-substituted benzoxazole analogs were identified by HTS as inhibitors of RSK2. Molecular modeling and medicinal chemistry techniques were employed to explore the SAR for this series with a focus of improving in vitro and target modulation potency and physicochemical properties.
PDB ID: 4NW5Download
MMDB ID: 117720
PDB Deposition Date: 2013/12/5
Updated in MMDB: 2014/10
Experimental Method:
x-ray diffraction
Resolution: 1.94  Å
Source Organism:
Similar Structures:
Biological Unit for 4NW5: monomeric; determined by author and by software (PISA)
Molecular Components in 4NW5
Label Count Molecule
Protein (1 molecule)
Ribosomal Protein S6 Kinase Alpha-3(Gene symbol: RPS6KA3)
Molecule annotation
Chemical (1 molecule)
* Click molecule labels to explore molecular sequence information.

Citing MMDB