UCSF

ZINC16052815

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2008 15 No

Popular Name: CaseinKinaseIIInhibitorIII,TBCA CaseinKinaseIIInhibitorIII,TBCA

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CAS Number: 934358-00-6

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) 4.75 7.49 -42.25 0 2 -1 40 462.737 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
E2AK2-1-E Interferon-induced, Double-stranded RNA-activated Protein Kinase (cluster #1 Of 1), Eukaryotic Eukaryotes 7000 0.48 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
E2AK2_HUMAN P19525 Interferon-induced, Double-stranded RNA-activated Protein Kinase, Human 7000 0.48 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Inhibition of PKR
ISG15 antiviral mechanism

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

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