UCSF

ZINC01636704

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 11 Yes

Popular Name: DDIG DDIG

Find On: PubMed — Wikipedia — Google

CAS Numbers: 75172-81-5 , [75172-81-5]

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 -8.74 -34.63 6 5 1 98 164.181 1 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AGAL-1-E Alpha-galactosidase (cluster #1 Of 1), Eukaryotic Eukaryotes 3 1.08 Binding ≤ 10μM
GDE-1-E Glycogen Debranching Enzyme (cluster #1 Of 1), Eukaryotic Eukaryotes 10000 0.64 Binding ≤ 10μM
LYAG-1-E Alpha-glucosidase (cluster #1 Of 2), Eukaryotic Eukaryotes 6000 0.66 Binding ≤ 10μM
MGA-1-E Maltase-glucoamylase (cluster #1 Of 3), Eukaryotic Eukaryotes 1500 0.74 Binding ≤ 10μM
Q5DUH8-1-E Alpha-galactosidase (cluster #1 Of 1), Eukaryotic Eukaryotes 3 1.08 Binding ≤ 10μM
SUIS-1-E Sucrase-isomaltase (cluster #1 Of 3), Eukaryotic Eukaryotes 260 0.84 Binding ≤ 10μM
AGALC-1-F Alpha-galactosidase C (cluster #1 Of 1), Fungal Fungi 3 1.08 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Q5DUH8_COFAR Q5DUH8 Alpha-galactosidase, Cofar 3 1.08 Binding ≤ 1μM
AGAL_COFAR Q42656 Alpha-galactosidase, Cofar 13 1.00 Binding ≤ 1μM
AGAL_HUMAN P06280 Alpha-galactosidase A, Human 70 0.91 Binding ≤ 1μM
AGALC_ASPNG Q9UUZ4 Alpha-galactosidase C, Aspng 3 1.08 Binding ≤ 1μM
SUIS_HUMAN P14410 Sucrase-isomaltase, Human 260 0.84 Binding ≤ 1μM
Q5DUH8_COFAR Q5DUH8 Alpha-galactosidase, Cofar 3 1.08 Binding ≤ 10μM
AGAL_COFAR Q42656 Alpha-galactosidase, Cofar 13 1.00 Binding ≤ 10μM
AGAL_HUMAN P06280 Alpha-galactosidase A, Human 70 0.91 Binding ≤ 10μM
AGALC_ASPNG Q9UUZ4 Alpha-galactosidase C, Aspng 1800 0.73 Binding ≤ 10μM
GDE_HUMAN P35573 Glycogen Debranching Enzyme, Human 10000 0.64 Binding ≤ 10μM
LYAG_HUMAN P10253 Lysosomal Alpha-glucosidase, Human 6000 0.66 Binding ≤ 10μM
MGA_HUMAN O43451 Maltase-glucoamylase, Human 1500 0.74 Binding ≤ 10μM
SUIS_HUMAN P14410 Sucrase-isomaltase, Human 260 0.84 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Digestion of dietary carbohydrate
Glycogen breakdown (glycogenolysis)
Glycosphingolipid metabolism

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