| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 24th, 2009 | 16 | No |
| 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) | 3.02 | 8.95 | -15.11 | 0 | 2 | 0 | 6 | 292.52 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MGLL-6-E | Monoglyceride Lipase (cluster #6 Of 7), Eukaryotic | Eukaryotes | 912 | 0.53 | Binding ≤ 10μM |
| Z80224-3-O | MCF7 (Breast Carcinoma Cells) (cluster #3 Of 14), Other | Other | 380 | 0.56 | Functional ≤ 10μM |
| Z80712-3-O | T47D (Breast Carcinoma Cells) (cluster #3 Of 7), Other | Other | 280 | 0.57 | Functional ≤ 10μM |
| Z81252-5-O | MDA-MB-231 (Breast Adenocarcinoma Cells) (cluster #5 Of 11), Other | Other | 250 | 0.58 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MGLL_HUMAN | Q99685 | Monoglyceride Lipase, Human | 912.010839 | 0.53 | Binding ≤ 1μM |
| MGLL_HUMAN | Q99685 | Monoglyceride Lipase, Human | 912.010839 | 0.53 | Binding ≤ 10μM |
| Z80224 | Z80224 | MCF7 (Breast Carcinoma Cells) | 380 | 0.56 | Functional ≤ 10μM |
| Z81252 | Z81252 | MDA-MB-231 (Breast Adenocarcinoma Cells) | 250 | 0.58 | Functional ≤ 10μM |
| Z80712 | Z80712 | T47D (Breast Carcinoma Cells) | 280 | 0.57 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Acyl chain remodeling of DAG and TAG | |
| Arachidonate production from DAG | |
| Hormone-sensitive lipase (HSL)-mediated triacylglycerol hydrolysis |
No pre-computed analogs available. Try a structural similarity search.