| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 25th, 2006 | 14 | 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) | 0.54 | -0.95 | -42.57 | 5 | 5 | 1 | 98 | 214.27 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.54 | -0.86 | -13.06 | 4 | 5 | 0 | 96 | 213.262 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NOS3-3-E | Nitric Oxide Synthase, Endothelial (cluster #3 Of 7), Eukaryotic | Eukaryotes | 8000 | 0.51 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NOS3_HUMAN | P29474 | Nitric-oxide Synthase, Endothelial, Human | 8000 | 0.51 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| eNOS activation | |
| Nitric oxide stimulates guanylate cyclase | |
| NOSIP mediated eNOS trafficking | |
| NOSTRIN mediated eNOS trafficking | |
| Phagosomal maturation (early endosomal stage) | |
| Tetrahydrobiopterin (BH4) synthesis, recycling, salvage and regulation | |
| VEGFR2 mediated vascular permeability |
