PFI-4

Ligand id: 8575

Name: PFI-4

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 65.12
Molecular weight 380.18
XLogP 2.73
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-(1,3-dimethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-2-methoxybenzamide
Database Links
PubChem CID 40642506
RCSB PDB Ligand 5XF
Search Google for chemical match using the InChIKey QCIJLRJBZDBVDB-UHFFFAOYSA-N
Search Google for chemicals with the same backbone QCIJLRJBZDBVDB
Search UniChem for chemical match using the InChIKey QCIJLRJBZDBVDB-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone QCIJLRJBZDBVDB
SynPHARM 82372 (in complex with bromodomain and PHD finger containing 1)
Comments
This compound from the Structural Genomics Consortium's (SGC) Epigenetics Probes Collection, is a useful tool for studying the function of the bromodomain-containing protein, BRPF1. BRPF proteins 1, 2 and 3 provide the scaffold for the formation of MYST complexes which play essential functions in DNA repair, recombination, replication and activation of transcription. PFI-4 is selective for the BRPF1B isoform. The BRPF1A isoform contains an amino acid insertion which prevents its binding to acetylated histone peptides.