UCSF

ZINC04098580

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 10 Yes

Popular Name: Fagomine Fagomine

Find On: PubMed — Wikipedia — Google

CAS Number: 53185-12-9

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) -2.07 -8.67 -36.36 5 4 1 77 148.182 1 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
BGAL-1-E Beta-galactosidase (cluster #1 Of 1), Eukaryotic Eukaryotes 3100 0.77 Binding ≤ 10μM
D3ZUM4-1-E Beta-galactosidase (cluster #1 Of 1), Eukaryotic Eukaryotes 4000 0.76 Binding ≤ 10μM
GANC-1-E Neutral Alpha-glucosidase C (cluster #1 Of 2), Eukaryotic Eukaryotes 6400 0.73 Binding ≤ 10μM
GDE-1-E Glycogen Debranching Enzyme (cluster #1 Of 1), Eukaryotic Eukaryotes 2100 0.79 Binding ≤ 10μM
LPH-1-E Lactase-glycosylceramidase (cluster #1 Of 1), Eukaryotic Eukaryotes 1900 0.80 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
BGAL_HUMAN P16278 Beta-galactosidase, Human 1500 0.82 Binding ≤ 10μM
D3ZUM4_RAT D3ZUM4 Beta-galactosidase, Rat 4000 0.76 Binding ≤ 10μM
GDE_RABIT P35574 Glycogen Debranching Enzyme, Rabit 2100 0.79 Binding ≤ 10μM
LPH_RAT Q02401 Lactase-glycosylceramidase, Rat 1900 0.80 Binding ≤ 10μM
GANC_MOUSE Q8BVW0 Neutral Alpha-glucosidase C, Mouse 6400 0.73 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Glycosphingolipid metabolism
HS-GAG degradation
Keratan sulfate degradation
Sialic acid metabolism

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