UCSF

ZINC03799253

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 16 Yes

Popular Name: 2-(hydroxymethyl)-1-pentyl-piperidine-3,4,5-triol 2-(hydroxymethyl)-1-pentyl-piper…

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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) -0.21 -8.25 -35.82 5 5 1 85 234.316 5 ↓

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 2000 0.50 Binding ≤ 10μM
GBA2-1-E Beta-glucosidase (cluster #1 Of 2), Eukaryotic Eukaryotes 400 0.56 Binding ≤ 10μM
LYAG-1-E Alpha-glucosidase (cluster #1 Of 2), Eukaryotic Eukaryotes 10000 0.44 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GBA2_HUMAN Q9HCG7 Beta-glucosidase, Human 400 0.56 Binding ≤ 1μM
GBA2_HUMAN Q9HCG7 Beta-glucosidase, Human 400 0.56 Binding ≤ 10μM
LYAG_MOUSE P70699 Lysosomal Alpha-glucosidase, Mouse 10000 0.44 Binding ≤ 10μM
B5THE3_MOUSE B5THE3 Sucrase-isomaltase, Mouse 2000 0.50 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Glycosphingolipid metabolism

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