UCSF

ZINC01492251

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 9 Yes

Popular Name: 1,4-Dideoxy-1,4-imino-D-ribitol 1,4-Dideoxy-1,4-imino-D-ribitol

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CAS Number: 100937-52-8

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) -1.98 -7.66 -35.71 5 4 1 77 134.155 1 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 6.59e+02 g/l DrugBank-experimental

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
B1WC34-1-E Alpha-glucosidase II Beta Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 9700 0.78 Binding ≤ 10μM
D3ZAN3-1-E Alpha-glucosidase II (cluster #1 Of 1), Eukaryotic Eukaryotes 9700 0.78 Binding ≤ 10μM
GANC-1-E Neutral Alpha-glucosidase C (cluster #1 Of 2), Eukaryotic Eukaryotes 5800 0.81 Binding ≤ 10μM
O70282-1-E Trehalase (cluster #1 Of 1), Eukaryotic Eukaryotes 4800 0.83 Binding ≤ 10μM
SUIS-1-E Sucrase-isomaltase (cluster #1 Of 3), Eukaryotic Eukaryotes 80 1.10 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SUIS_RAT P23739 Sucrase-isomaltase, Rat 80 1.10 Binding ≤ 1μM
D3ZAN3_RAT D3ZAN3 Alpha-glucosidase II, Rat 9700 0.78 Binding ≤ 10μM
B1WC34_RAT B1WC34 Alpha-glucosidase II Beta Subunit, Rat 9700 0.78 Binding ≤ 10μM
GANC_MOUSE Q8BVW0 Neutral Alpha-glucosidase C, Mouse 5800 0.81 Binding ≤ 10μM
SUIS_RAT P23739 Sucrase-isomaltase, Rat 1300 0.92 Binding ≤ 10μM
O70282_RAT O70282 Trehalase, Rat 4800 0.83 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Advanced glycosylation endproduct receptor signaling
Calnexin/calreticulin cycle
N-glycan trimming in the ER and Calnexin/Calreticulin cycle

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