UCSF

ZINC03870514

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2005 11 Yes

Popular Name: 1-Deoxynojirimycin 1-Deoxynojirimycin

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CAS Numbers: 19130-96-2 , 210223-32-8 , 355138-93-1 , 73285-50-4 , [210233-32-2]

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) -2.40 -8.39 -31.75 6 5 1 98 164.181 1 ↓

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 9000 0.64 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CEGT_HUMAN Q16739 Ceramide Glucosyltransferase, Human 9000 0.64 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Glycosphingolipid metabolism

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