UCSF

ZINC44460369

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2010 26 No

Popular Name: KOTALANOL KOTALANOL

Find On: PubMed — Wikipedia — Google

Other Names:

DNC010727

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

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
LYAG-2-E Alpha-glucosidase (cluster #2 Of 2), Eukaryotic Eukaryotes 7200 0.28 Binding ≤ 10μM
MGA-2-E Maltase-glucoamylase (cluster #2 Of 3), Eukaryotic Eukaryotes 190 0.36 Binding ≤ 10μM
SUIS-2-E Sucrase-isomaltase (cluster #2 Of 3), Eukaryotic Eukaryotes 750 0.33 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
LYAG_RAT Q6P7A9 Acidic Alpha-glucosidase, Rat 540 0.34 Binding ≤ 1μM
MGA_HUMAN O43451 Maltase-glucoamylase, Human 190 0.36 Binding ≤ 1μM
SUIS_RAT P23739 Sucrase-isomaltase, Rat 420 0.34 Binding ≤ 1μM
LYAG_RAT Q6P7A9 Acidic Alpha-glucosidase, Rat 540 0.34 Binding ≤ 10μM
MGA_HUMAN O43451 Maltase-glucoamylase, Human 190 0.36 Binding ≤ 10μM
SUIS_RAT P23739 Sucrase-isomaltase, Rat 1370 0.32 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Digestion of dietary carbohydrate

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

No pre-computed analogs available. Try a structural similarity search.