OF-1

Ligand id: 9523

Name: OF-1

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 87.33
Molecular weight 439.02
XLogP 2.41
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-bromo-N-(6-methoxy-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)-2-methylbenzene-1-sulfonamide
Synonyms
OF 1
Comments
OF-1 is a small molecule inhibitor of the bromodomain proteins BRPF1/2/3 and is one of the chemical tools in the Structural Genomics Consortium's Epigenetic Probes Library. 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 336446909
PubChem CID 35397514
RCSB PDB Ligand 5XE
Search Google for chemical match using the InChIKey YUNQZQREIHWDQT-UHFFFAOYSA-N
Search Google for chemicals with the same backbone YUNQZQREIHWDQT
Search UniChem for chemical match using the InChIKey YUNQZQREIHWDQT-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone YUNQZQREIHWDQT
SynPHARM 84275 (in complex with bromodomain and PHD finger containing 1)

Product suppliers

Tocris
OF 1
Cat. No. 5289