| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 26th, 2009 | 25 | Yes |
Popular Name: 3-[1-[(4-chlorophenyl)methyl]-3-methyl-indol-2-yl]-2,2-dimethyl-propanoic 3-[1-[(4-chlorophenyl)methyl]-3-…
| 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) | 5.70 | 12.62 | -47.1 | 0 | 3 | -1 | 45 | 354.857 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PGES2-1-E | Prostaglandin E Synthase 2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 3200 | 0.31 | Binding ≤ 10μM |
| PTGES-1-E | Prostaglandin E Synthase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 2600 | 0.31 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PTGES_HUMAN | O14684 | Prostaglandin E Synthase, Human | 1600 | 0.32 | Binding ≤ 10μM |
| PGES2_HUMAN | Q9H7Z7 | Prostaglandin E Synthase 2, Human | 3200 | 0.31 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Synthesis of Prostaglandins (PG) and Thromboxanes (TX) |
