UCSF

ZINC13585914

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 14 Yes

Popular Name: 4,5,6,7-tetrabromo-1,3-dihydrobenzimidazol-2-one 4,5,6,7-tetrabromo-1,3-dihydrobe…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.07 3.53 -3.89 2 3 0 49 449.722 0 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CSK21-3-E Casein Kinase II Alpha (cluster #3 Of 3), Eukaryotic Eukaryotes 360 0.64 Binding ≤ 10μM
CSK22-2-E Casein Kinase II Alpha (prime) (cluster #2 Of 2), Eukaryotic Eukaryotes 360 0.64 Binding ≤ 10μM
CSK2B-2-E Casein Kinase II Beta (cluster #2 Of 3), Eukaryotic Eukaryotes 360 0.64 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CSK21_HUMAN P68400 Casein Kinase II Alpha, Human 150 0.68 Binding ≤ 1μM
CSK22_HUMAN P19784 Casein Kinase II Alpha (prime), Human 150 0.68 Binding ≤ 1μM
CSK2B_HUMAN P67870 Casein Kinase II Beta, Human 150 0.68 Binding ≤ 1μM
CSK21_HUMAN P68400 Casein Kinase II Alpha, Human 150 0.68 Binding ≤ 10μM
CSK22_HUMAN P19784 Casein Kinase II Alpha (prime), Human 150 0.68 Binding ≤ 10μM
CSK2B_HUMAN P67870 Casein Kinase II Beta, Human 150 0.68 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Condensation of Prometaphase Chromosomes
Signal transduction by L1
WNT mediated activation of DVL

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.