Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| February 9th, 2011 |
25 |
Yes
|
Popular Name:
(2R,3R,4S,5S,6R)-2-[4-bromo-5-(p-tolylmethyl)thiazol-2-yl]-6-(hydroxymethyl)tetrahydropyran-3,4,5-tr
(2R,3R,4S,5S,6R)-2-[4-bromo-5-(p…
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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)
|
1.84 |
-2.26 |
-10 |
4 |
6 |
0 |
103 |
430.32 |
4 |
↓
|
Clustered Target Annotations
| Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
|
SC5A2-1-E |
Sodium/glucose Cotransporter 2 (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
1050 |
0.33 |
Binding ≤ 10μM
|
ChEMBL Target Annotations
| Uniprot |
Swissprot |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
|
SC5A2_HUMAN |
P31639
|
Sodium/glucose Cotransporter 2, Human |
1050 |
0.33 |
Binding ≤ 10μM
|
Reactome Annotations from Targets (via Uniprot)
| Description |
Species |
|
Hexose transport |
|
|
Inositol transporters |
|
|
Na+-dependent glucose transporters |
|
No pre-computed analogs available. Try a structural similarity search.
