UCSF

ZINC14209606

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2008 30 Yes

Popular Name: GKA-22 GKA-22

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) 3.68 9.67 -56.61 1 7 -1 101 425.486 9 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
HXK4-1-E Hexokinase Type IV (cluster #1 Of 1), Eukaryotic Eukaryotes 90 0.33 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
HXK4_HUMAN P35557 Hexokinase Type IV, Human 90 0.33 Binding ≤ 1μM
HXK4_HUMAN P35557 Hexokinase Type IV, Human 90 0.33 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Glucose transport
Regulation of gene expression in beta cells
Regulation of Glucokinase by Glucokinase Regulatory Protein

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

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