UCSF

ZINC01492230

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 11 Yes

Popular Name: 2,5-Dideoxy-2,5-imino-d-mannitol 2,5-Dideoxy-2,5-imino-d-mannitol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 59920-31-9 , [210115-92-7] , [59920-31-9]

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) -2.62 -11.99 -33.49 6 5 1 97 164.181 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GDE-1-E Glycogen Debranching Enzyme (cluster #1 Of 1), Eukaryotic Eukaryotes 9800 0.64 Binding ≤ 10μM
LPH-1-E Lactase-glycosylceramidase (cluster #1 Of 1), Eukaryotic Eukaryotes 3600 0.69 Binding ≤ 10μM
MAL62-2-F Alpha-glucosidase MAL62 (cluster #2 Of 2), Fungal Fungi 2000 0.73 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
MAL62_YEASX P07265 Alpha-glucosidase MAL62, Yeasx 2000 0.73 Binding ≤ 10μM
GDE_HUMAN P35573 Glycogen Debranching Enzyme, Human 9800 0.64 Binding ≤ 10μM
LPH_RAT Q02401 Lactase-glycosylceramidase, Rat 3600 0.69 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Amino acid transport across the plasma membrane
Glycogen breakdown (glycogenolysis)

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