UCSF

ZINC03936410

Substance Information

In ZINC since Heavy atoms Benign functionality
October 20th, 2005 27 Yes

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) 2.22 -8.98 -10.88 4 6 0 99 394.851 5

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 240 0.34 Binding ≤ 10μM
SC5A2-1-E Sodium/glucose Cotransporter 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 1 0.47 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SC5A1_HUMAN P13866 Sodium/glucose Cotransporter 1, Human 240 0.34 Binding ≤ 1μM
SC5A2_HUMAN P31639 Sodium/glucose Cotransporter 2, Human 1 0.47 Binding ≤ 1μM
SC5A1_HUMAN P13866 Sodium/glucose Cotransporter 1, Human 240 0.34 Binding ≤ 10μM
SC5A2_HUMAN P31639 Sodium/glucose Cotransporter 2, Human 1 0.47 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

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

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