SGC-CBP30

Ligand id: 7529

Name: SGC-CBP30

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 8
Topological polar surface area 65.55
Molecular weight 508.22
XLogP 5.33
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-[2-(3-chloro-4-methoxyphenyl)ethyl]-5-(dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-(morpholin-4-yl)propyl]-1H-1,3-benzodiazole
Comments
CBP30 targets the CBP/p300 bromodomain, with much improved selectivity compared to the pan-BET bromodomain inhibitor (+)-JQ1 [2]. CBP30 has therapeutic potential against autoimmune diseases characterised by aberrant Th17 responses.
This is a compound from the Structural Genomics Consortium's (SGC) Epigenetics Probes Collection.
Database Links
GtoPdb PubChem SID 187051830
PubChem CID 72201027
RCSB PDB Ligand 2LO
Search Google for chemical match using the InChIKey GEPYBHCJBORHCE-SFHVURJKSA-N
Search Google for chemicals with the same backbone GEPYBHCJBORHCE
Search UniChem for chemical match using the InChIKey GEPYBHCJBORHCE-SFHVURJKSA-N
Search UniChem for chemicals with the same backbone GEPYBHCJBORHCE
SynPHARM 79941 (in complex with CREB binding protein)
79942 (in complex with E1A binding protein p300)

Product suppliers

Tocris
SGC-CBP30
Cat. No. 4889