TBBt

Ligand id: 9372

Name: TBBt

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 0
Topological polar surface area 41.57
Molecular weight 430.69
XLogP 3.69
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4,5,6,7-tetrabromo-2H-benzotriazole
Synonyms
Casein Kinase II Inhibitor I | TBB
Database Links
BindingDB Ligand 11323
ChEMBL Ligand CHEMBL177820
PubChem CID 1694
RCSB PDB Ligand TBS
Search Google for chemical match using the InChIKey OMZYUVOATZSGJY-UHFFFAOYSA-N
Search Google for chemicals with the same backbone OMZYUVOATZSGJY
Search UniChem for chemical match using the InChIKey OMZYUVOATZSGJY-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone OMZYUVOATZSGJY
Comments
TBBt is a small molecule ATP-competitive inhibitor of casein kinase 2 (CK2). It is used as a comparator to novel compounds in [1].