UCSF

ZINC06007277

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 22nd, 2006 24 No

Popular Name: 5-bromo-2-hydroxy-N-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]benzamide 5-bromo-2-hydroxy-N-[(2-hydroxy-…

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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) 3.64 2.9 -17.65 3 7 0 104 390.193 3 ↓
Hi High (pH 8-9.5) 3.64 4.07 -56.64 2 7 -1 107 389.185 3 ↓
Hi High (pH 8-9.5) 3.64 3.91 -59.61 2 7 -1 107 389.185 3 ↓

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 9400 0.29 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 9400 0.29 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.