| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 26th, 2009 | 22 | No |
Popular Name: O-(D-Glucopyranosylidene)aminoN-Phenylcarbamate O-(D-Glucopyranosylidene)aminoN-…
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CAS Number: 104012-84-2
| 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) | -0.75 | -5.86 | -16.54 | 5 | 9 | 0 | 141 | 312.278 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GBA2-2-E | Beta-glucosidase (cluster #2 Of 2), Eukaryotic | Eukaryotes | 2500 | 0.36 | Binding ≤ 10μM |
| GBA3-2-E | Beta-glucosidase Cytosolic (cluster #2 Of 2), Eukaryotic | Eukaryotes | 2500 | 0.36 | Binding ≤ 10μM |
| GLCM-1-E | Glucosylceramidase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 2500 | 0.36 | Binding ≤ 10μM |
| MANBA-1-E | Beta-mannosidase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 25 | 0.48 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MANBA_HUMAN | O00462 | Beta-mannosidase, Human | 25 | 0.48 | Binding ≤ 1μM |
| GLCM_HUMAN | P04062 | Beta-glucocerebrosidase, Human | 2500 | 0.36 | Binding ≤ 10μM |
| GBA2_HUMAN | Q9HCG7 | Beta-glucosidase, Human | 2500 | 0.36 | Binding ≤ 10μM |
| GBA3_HUMAN | Q9H227 | Beta-glucosidase Cytosolic, Human | 2500 | 0.36 | Binding ≤ 10μM |
| MANBA_HUMAN | O00462 | Beta-mannosidase, Human | 25 | 0.48 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Glycosphingolipid metabolism |
