| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 11th, 2009 | 19 | Yes |
Popular Name: 2-(4-hydroxypiperidine-1-carbonyl)-4-isopropyl-3-methyl-isoxazol-5-one 2-(4-hydroxypiperidine-1-carbony…
| 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) | 0.05 | 4.96 | -10.43 | 1 | 6 | 0 | 76 | 268.313 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LIPS-1-E | Hormone Sensitive Lipase (cluster #1 Of 3), Eukaryotic | Eukaryotes | 166 | 0.50 | Binding ≤ 10μM |
| LIPS-1-E | Hormone Sensitive Lipase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 450 | 0.47 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LIPS_HUMAN | Q05469 | Hormone Sensitive Lipase, Human | 166 | 0.50 | Binding ≤ 1μM |
| LIPS_RAT | P15304 | Hormone-sensitive Lipase, Rat | 166 | 0.50 | Binding ≤ 1μM |
| LIPS_HUMAN | Q05469 | Hormone Sensitive Lipase, Human | 166 | 0.50 | Binding ≤ 10μM |
| LIPS_RAT | P15304 | Hormone-sensitive Lipase, Rat | 166 | 0.50 | Binding ≤ 10μM |
| LIPS_HUMAN | Q05469 | Hormone Sensitive Lipase, Human | 450 | 0.47 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Hormone-sensitive lipase (HSL)-mediated triacylglycerol hydrolysis |
No pre-computed analogs available. Try a structural similarity search.