| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 11th, 2009 | 17 | Yes |
Popular Name: DNC011837 DNC011837
None
| 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) | 0.50 | 4.12 | -15.3 | 2 | 5 | 0 | 70 | 231.255 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.50 | 4.6 | -46.67 | 3 | 5 | 1 | 71 | 232.263 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| C11B1-1-E | Cytochrome P450 11B1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 10000 | 0.41 | Binding ≤ 10μM |
| THAS-3-E | Thromboxane-A Synthase (cluster #3 Of 3), Eukaryotic | Eukaryotes | 56 | 0.60 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| THAS_HUMAN | P24557 | Thromboxane-A Synthase, Human | 56 | 0.60 | Binding ≤ 1μM |
| C11B1_RAT | P15393 | Cytochrome P450 11B1, Rat | 10000 | 0.41 | Binding ≤ 10μM |
| THAS_HUMAN | P24557 | Thromboxane-A Synthase, Human | 56 | 0.60 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Eicosanoids | |
| Synthesis of Prostaglandins (PG) and Thromboxanes (TX) |
