UCSF

ZINC14967758

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 19 No

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) 1.30 -1.72 -36.37 5 5 1 85 276.397 8

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
B5THE3-1-E Sucrase-isomaltase (cluster #1 Of 1), Eukaryotic Eukaryotes 750 0.45 Binding ≤ 10μM
CEGT-1-E Ceramide Glucosyltransferase (cluster #1 Of 1), Eukaryotic Eukaryotes 4000 0.40 Binding ≤ 10μM
GBA2-1-E Beta-glucosidase (cluster #1 Of 2), Eukaryotic Eukaryotes 20 0.57 Binding ≤ 10μM
GLCM-2-E Glucosylceramidase (cluster #2 Of 2), Eukaryotic Eukaryotes 4000 0.40 Binding ≤ 10μM
LYAG-1-E Alpha-glucosidase (cluster #1 Of 2), Eukaryotic Eukaryotes 8000 0.38 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GBA2_HUMAN Q9HCG7 Beta-glucosidase, Human 20 0.57 Binding ≤ 1μM
B5THE3_MOUSE B5THE3 Sucrase-isomaltase, Mouse 750 0.45 Binding ≤ 1μM
GLCM_HUMAN P04062 Beta-glucocerebrosidase, Human 4000 0.40 Binding ≤ 10μM
GBA2_HUMAN Q9HCG7 Beta-glucosidase, Human 20 0.57 Binding ≤ 10μM
CEGT_MOUSE O88693 Ceramide Glucosyltransferase, Mouse 4000 0.40 Binding ≤ 10μM
LYAG_MOUSE P70699 Lysosomal Alpha-glucosidase, Mouse 8000 0.38 Binding ≤ 10μM
B5THE3_MOUSE B5THE3 Sucrase-isomaltase, Mouse 750 0.45 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Glycosphingolipid metabolism

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