| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 4th, 2009 | 10 | Yes |
Popular Name: 2-Pyridinamine, 3-ethyl-4-methyl- (9CI) 2-Pyridinamine, 3-ethyl-4-methyl…
Find On: PubMed — Wikipedia — Google
CAS Number: 179555-32-9
| 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) | 1.76 | 4.01 | -27.08 | 3 | 2 | 1 | 40 | 137.206 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.76 | 3.54 | -4.53 | 2 | 2 | 0 | 39 | 136.198 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NOS2-4-E | Nitric Oxide Synthase, Inducible (cluster #4 Of 9), Eukaryotic | Eukaryotes | 2700 | 0.78 | Binding ≤ 10μM |
| NOS3-6-E | Nitric Oxide Synthase, Endothelial (cluster #6 Of 7), Eukaryotic | Eukaryotes | 3300 | 0.77 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NOS2_HUMAN | P35228 | Nitric Oxide Synthase, Inducible, Human | 2700 | 0.78 | Binding ≤ 10μM |
| NOS3_HUMAN | P29474 | Nitric-oxide Synthase, Endothelial, Human | 3300 | 0.77 | 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 |
No pre-computed analogs available. Try a structural similarity search.
