UCSF

ZINC38732932

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2010 17 Yes

Popular Name: DNC014778 DNC014778

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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) 3.37 5.17 -41.23 1 4 -1 73 291.497 1 ↓
Hi High (pH 8-9.5) 3.37 6.16 -114.36 0 4 -2 76 290.489 1 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CSK21-1-E Casein Kinase II Alpha (cluster #1 Of 3), Eukaryotic Eukaryotes 60 0.59 Binding ≤ 10μM
CSK22-1-E Casein Kinase II Alpha (prime) (cluster #1 Of 2), Eukaryotic Eukaryotes 60 0.59 Binding ≤ 10μM
CSK2B-1-E Casein Kinase II Beta (cluster #1 Of 3), Eukaryotic Eukaryotes 60 0.59 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CSK21_HUMAN P68400 Casein Kinase II Alpha, Human 300 0.54 Binding ≤ 1μM
CSK22_HUMAN P19784 Casein Kinase II Alpha (prime), Human 300 0.54 Binding ≤ 1μM
CSK2B_HUMAN P67870 Casein Kinase II Beta, Human 300 0.54 Binding ≤ 1μM
CSK21_HUMAN P68400 Casein Kinase II Alpha, Human 300 0.54 Binding ≤ 10μM
CSK22_HUMAN P19784 Casein Kinase II Alpha (prime), Human 300 0.54 Binding ≤ 10μM
CSK2B_HUMAN P67870 Casein Kinase II Beta, Human 300 0.54 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

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

Rings

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

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