GSK2801

Ligand id: 8233

Name: GSK2801

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 6
Topological polar surface area 73.23
Molecular weight 371.12
XLogP 4.01
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-(7-(2-methylsulfonyl-phenyl)-4-propoxy-1-aza-bicyclo[4.3.0]nona-2,4,6,8-tetraen-9-yl)-ethanone
Synonyms
KB-146016
Database Links
PubChem CID 73010930
RCSB PDB Ligand 3WQ
Search Google for chemical match using the InChIKey KHWCPNJRJCNVRI-UHFFFAOYSA-N
Search Google for chemicals with the same backbone KHWCPNJRJCNVRI
Search UniChem for chemical match using the InChIKey KHWCPNJRJCNVRI-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone KHWCPNJRJCNVRI
SynPHARM 81847 (in complex with bromodomain adjacent to zinc finger domain 2B)
Comments
GSK2801 is reported by the Structural Genomics Consortium (SGC) to be a selective inhibitor of the ubiquitously expressed bromodomain containing proteins BAZ2A and BAZ2B [3]. BAZ2A is essential for heterochromatin formation leading to transcriptional silencing of certain rRNAs [1]. BAZ2B may be involved in regulating nucleosome mobilization by the ATP-dependent chromatin remodeling factor ISWI [2]. Click here to link to the SGC's full list of epigenetics probes.