UCSF

ZINC13780144

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2008 13 Yes

Popular Name: DNC011836 DNC011836

Find On: PubMed — Wikipedia — Google

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) -3.05 -11.28 -36.92 7 6 1 118 194.207 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
D3ZJF9-1-E Alpha-galactosidase A (cluster #1 Of 1), Eukaryotic Eukaryotes 4500 0.58 Binding ≤ 10μM
FUCO-3-E Alpha-L-fucosidase 1 (cluster #3 Of 3), Eukaryotic Eukaryotes 4400 0.58 Binding ≤ 10μM
GANC-1-E Neutral Alpha-glucosidase C (cluster #1 Of 2), Eukaryotic Eukaryotes 22 0.82 Binding ≤ 10μM
LYAG-1-E Alpha-glucosidase (cluster #1 Of 2), Eukaryotic Eukaryotes 5000 0.57 Binding ≤ 10μM
MGA-1-E Maltase-glucoamylase (cluster #1 Of 3), Eukaryotic Eukaryotes 6200 0.56 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
MGA_HUMAN O43451 Maltase-glucoamylase, Human 450 0.68 Binding ≤ 1μM
GANC_HUMAN Q8TET4 Neutral Alpha-glucosidase C, Human 22 0.82 Binding ≤ 1μM
LYAG_RAT Q6P7A9 Acidic Alpha-glucosidase, Rat 3000 0.59 Binding ≤ 10μM
D3ZJF9_RAT D3ZJF9 Alpha-galactosidase A, Rat 4500 0.58 Binding ≤ 10μM
FUCO_RAT P17164 Alpha-L-fucosidase I, Rat 4400 0.58 Binding ≤ 10μM
FUCO_HUMAN P04066 Alpha-L-fucosidase I, Human 2600 0.60 Binding ≤ 10μM
MGA_HUMAN O43451 Maltase-glucoamylase, Human 3200 0.59 Binding ≤ 10μM
GANC_HUMAN Q8TET4 Neutral Alpha-glucosidase C, Human 22 0.82 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Digestion of dietary carbohydrate
Glycosphingolipid metabolism

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