UCSF

ZINC11616448

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2008 18 Yes

Popular Name: (1S,2S,3S,4R,5S)-5-[[2-hydroxy-1-(hydroxymethyl)ethyl]amino]-1-(hydroxymethyl)cyclohexane-1,2,3,4-te (1S,2S,3S,4R,5S)-5-[[2-hydroxy-1…

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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) -3.98 -16 -38.9 9 8 1 158 268.286 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MGA-1-E Maltase-glucoamylase (cluster #1 Of 3), Eukaryotic Eukaryotes 15 0.61 Binding ≤ 10μM
SUIS-1-E Sucrase-isomaltase (cluster #1 Of 3), Eukaryotic Eukaryotes 5 0.65 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
MGA_HUMAN O43451 Maltase-glucoamylase, Human 15 0.61 Binding ≤ 1μM
SUIS_HUMAN P14410 Sucrase-isomaltase, Human 4.6 0.65 Binding ≤ 1μM
MGA_HUMAN O43451 Maltase-glucoamylase, Human 15 0.61 Binding ≤ 10μM
SUIS_HUMAN P14410 Sucrase-isomaltase, Human 4.6 0.65 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Digestion of dietary carbohydrate

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