UCSF

ZINC13719785

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) -0.72 -3.01 -32.91 5 5 1 85 220.289 4
Hi High (pH 8-9.5) -0.72 -2.52 -40.01 4 5 0 88 219.281 4

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CEGT-1-E Ceramide Glucosyltransferase (cluster #1 Of 1), Eukaryotic Eukaryotes 10000 0.47 Binding ≤ 10μM
GBA2-1-E Beta-glucosidase (cluster #1 Of 2), Eukaryotic Eukaryotes 300 0.61 Binding ≤ 10μM
GDE-1-E Glycogen Debranching Enzyme (cluster #1 Of 1), Eukaryotic Eukaryotes 10000 0.47 Binding ≤ 10μM
LYAG-1-E Alpha-glucosidase (cluster #1 Of 2), Eukaryotic Eukaryotes 1500 0.54 Binding ≤ 10μM
MGA-1-E Maltase-glucoamylase (cluster #1 Of 3), Eukaryotic Eukaryotes 10000 0.47 Binding ≤ 10μM
SUIS-1-E Sucrase-isomaltase (cluster #1 Of 3), Eukaryotic Eukaryotes 460 0.59 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GBA2_HUMAN Q9HCG7 Beta-glucosidase, Human 300 0.61 Binding ≤ 1μM
SUIS_HUMAN P14410 Sucrase-isomaltase, Human 460 0.59 Binding ≤ 1μM
GBA2_HUMAN Q9HCG7 Beta-glucosidase, Human 300 0.61 Binding ≤ 10μM
CEGT_HUMAN Q16739 Ceramide Glucosyltransferase, Human 10000 0.47 Binding ≤ 10μM
GDE_HUMAN P35573 Glycogen Debranching Enzyme, Human 10000 0.47 Binding ≤ 10μM
LYAG_HUMAN P10253 Lysosomal Alpha-glucosidase, Human 1500 0.54 Binding ≤ 10μM
MGA_HUMAN O43451 Maltase-glucoamylase, Human 10000 0.47 Binding ≤ 10μM
SUIS_HUMAN P14410 Sucrase-isomaltase, Human 460 0.59 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Digestion of dietary carbohydrate
Glycogen breakdown (glycogenolysis)
Glycosphingolipid metabolism

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