| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 10th, 2009 | 28 | Yes |
| 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) | 5.88 | 13.07 | -17.42 | 1 | 4 | 0 | 76 | 378.822 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| JAK2-1-E | Tyrosine-protein Kinase JAK2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 100 | 0.35 | Binding ≤ 10μM |
| PTGES-1-E | Prostaglandin E Synthase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 420 | 0.32 | Binding ≤ 10μM |
| Q2TJZ7-1-E | Microsomal Prostaglandin E Synthase-1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1 | 0.45 | Binding ≤ 10μM |
| THAS-2-E | Thromboxane-A Synthase (cluster #2 Of 3), Eukaryotic | Eukaryotes | 3000 | 0.28 | Binding ≤ 10μM |
| Z102213-1-O | Blood (cluster #1 Of 2), Other | Other | 1300 | 0.29 | Functional ≤ 10μM |
| Z80682-8-O | A549 (Lung Carcinoma Cells) (cluster #8 Of 11), Other | Other | 420 | 0.32 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q2TJZ7_PIG | Q2TJZ7 | Microsomal Prostaglandin E Synthase-1, Pig | 0.9 | 0.45 | Binding ≤ 1μM |
| PTGES_HUMAN | O14684 | Prostaglandin E Synthase, Human | 1 | 0.45 | Binding ≤ 1μM |
| JAK2_HUMAN | O60674 | Tyrosine-protein Kinase JAK2, Human | 100 | 0.35 | Binding ≤ 1μM |
| Q2TJZ7_PIG | Q2TJZ7 | Microsomal Prostaglandin E Synthase-1, Pig | 0.9 | 0.45 | Binding ≤ 10μM |
| PTGES_HUMAN | O14684 | Prostaglandin E Synthase, Human | 1 | 0.45 | Binding ≤ 10μM |
| THAS_HUMAN | P24557 | Thromboxane-A Synthase, Human | 3000 | 0.28 | Binding ≤ 10μM |
| JAK2_HUMAN | O60674 | Tyrosine-protein Kinase JAK2, Human | 100 | 0.35 | Binding ≤ 10μM |
| Z80682 | Z80682 | A549 (Lung Carcinoma Cells) | 420 | 0.32 | Functional ≤ 10μM |
| Z102213 | Z102213 | Blood | 1300 | 0.29 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Eicosanoids | |
| Factors involved in megakaryocyte development and platelet production | |
| Growth hormone receptor signaling | |
| Interferon gamma signaling | |
| Interleukin receptor SHC signaling | |
| Interleukin-3, 5 and GM-CSF signaling | |
| Interleukin-6 signaling | |
| Prolactin receptor signaling | |
| Regulation of IFNG signaling | |
| RMTs methylate histone arginines | |
| Signaling by Leptin | |
| Signaling by SCF-KIT | |
| Synthesis of Prostaglandins (PG) and Thromboxanes (TX) |
No pre-computed analogs available. Try a structural similarity search.