compound 2c [PMID: 22115617]

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Ligands
compound 2c [PMID: 22115617]

Ligand id: 8140

Name: compound 2c [PMID: 22115617]

Structure and Physico-chemical Properties

2D Structure

Calculated Physico-chemical Properties
Hydrogen bond acceptors	5
Hydrogen bond donors	1
Rotatable bonds	3
Topological polar surface area	58.36
Molecular weight	530.74
XLogP	3.14
No. Lipinski's rules broken	0

Molecular properties generated using the CDK

Classification
Compound class	Synthetic organic

IUPAC Name
2-[4,5,6,7-tetrabromo-2-(dimethylamino)benzimidazol-1-yl]acetic acid

IUPAC Name

2-[4,5,6,7-tetrabromo-2-(dimethylamino)benzimidazol-1-yl]acetic acid

Database Links
ChEMBL Ligand	CHEMBL1233807
GtoPdb PubChem SID	249565820
PubChem CID	46943415
RCSB PDB Ligand	K66
Search Google for chemical match using the InChIKey	PHAOTASRLQMKBE-UHFFFAOYSA-N
Search Google for chemicals with the same backbone	PHAOTASRLQMKBE
Search UniChem for chemical match using the InChIKey	PHAOTASRLQMKBE-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone	PHAOTASRLQMKBE

Comments
Compound 2c is a potent inhibitor of the alpha prime (α'; gene symbol CSNK2A2) subunit of casein kinase 2 (CK2) [1]. The compound is four times more potent at CK2α' compared to CK2α as assessed by subunit-induced inhibition of phosphorylation of a synthetic peptide substrate [1].

Comments

Compound 2c is a potent inhibitor of the alpha prime (α'; gene symbol CSNK2A2) subunit of casein kinase 2 (CK2) [1]. The compound is four times more potent at CK2α' compared to CK2α as assessed by subunit-induced inhibition of phosphorylation of a synthetic peptide substrate [1].