NI-57

Ligand id: 8573

Name: NI-57

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 107.88
Molecular weight 383.09
XLogP 2.25
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-cyano-N-(1,3-dimethyl-2-oxoquinolin-6-yl)-2-methoxybenzenesulfonamide
Comments
This compound from the Structural Genomics Consortium's (SGC) Epigenetics Probes Collection, is a useful tool for studying the function of bromodomains in BRPF1, -2 (HGNC gene symbol BRD1) and -3 proteins. BRPF1/2/3 provide the scaffold for the formation of MYST complexes which play essential functions in DNA repair, recombination, replication and activation of transcription.
Database Links
GtoPdb PubChem SID 252166774
PubChem CID 91827373
RCSB PDB Ligand LS8
Search Google for chemical match using the InChIKey UEMQPCYDWCSVCU-UHFFFAOYSA-N
Search Google for chemicals with the same backbone UEMQPCYDWCSVCU
Search UniChem for chemical match using the InChIKey UEMQPCYDWCSVCU-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone UEMQPCYDWCSVCU

Product suppliers

Tocris
NI 57
Cat. No. 5546