UCSF

ZINC56809280

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 9th, 2011 27 No

Popular Name: (2R,3R,4S,5S,6S)-2-(hydroxymethyl)-6-[2-[(4-methoxyphenyl)methyl]phenoxy]tetrahydropyran-3,4,5-triol (2R,3R,4S,5S,6S)-2-(hydroxymethy…

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Annotations

Vendors

    None

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) 1.64 0.45 -12.07 4 7 0 109 376.405 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SC5A1-1-E Sodium/glucose Cotransporter 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 2300 0.29 Binding ≤ 10μM
SC5A2-1-E Sodium/glucose Cotransporter 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 9 0.42 Binding ≤ 10μM
SC5A4-1-E Low Affinity Sodium-glucose Cotransporter (cluster #1 Of 1), Eukaryotic Eukaryotes 5 0.43 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SC5A4_HUMAN Q9NY91 Low Affinity Sodium-glucose Cotransporter, Human 4.8 0.43 Binding ≤ 1μM
SC5A2_HUMAN P31639 Sodium/glucose Cotransporter 2, Human 2.4 0.45 Binding ≤ 1μM
SC5A4_HUMAN Q9NY91 Low Affinity Sodium-glucose Cotransporter, Human 4.8 0.43 Binding ≤ 10μM
SC5A1_HUMAN P13866 Sodium/glucose Cotransporter 1, Human 2300 0.29 Binding ≤ 10μM
SC5A2_HUMAN P31639 Sodium/glucose Cotransporter 2, Human 2.4 0.45 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Hexose transport
Inositol transporters
Na+-dependent glucose transporters

Rings

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