| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 17th, 2006 | 9 | Yes |
Popular Name: 2-Pyridinamine, 3,4,5,6-tetrahydro-4,6-dimethyl- (9CI) 2-Pyridinamine, 3,4,5,6-tetrahyd…
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CAS Number: 165383-78-8
| 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) | 1.13 | -1.91 | -26.85 | 3 | 2 | 1 | 39 | 127.211 | 0 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NOS1-4-E | Nitric-oxide Synthase, Brain (cluster #4 Of 7), Eukaryotic | Eukaryotes | 60 | 1.12 | Binding ≤ 10μM |
| NOS2-1-E | Nitric Oxide Synthase, Inducible (cluster #1 Of 9), Eukaryotic | Eukaryotes | 80 | 1.10 | Binding ≤ 10μM |
| NOS3-1-E | Nitric Oxide Synthase, Endothelial (cluster #1 Of 7), Eukaryotic | Eukaryotes | 300 | 1.01 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NOS2_HUMAN | P35228 | Nitric Oxide Synthase, Inducible, Human | 80 | 1.10 | Binding ≤ 1μM |
| NOS1_HUMAN | P29475 | Nitric-oxide Synthase, Brain, Human | 60 | 1.12 | Binding ≤ 1μM |
| NOS3_HUMAN | P29474 | Nitric-oxide Synthase, Endothelial, Human | 300 | 1.01 | Binding ≤ 1μM |
| NOS2_HUMAN | P35228 | Nitric Oxide Synthase, Inducible, Human | 80 | 1.10 | Binding ≤ 10μM |
| NOS1_HUMAN | P29475 | Nitric-oxide Synthase, Brain, Human | 60 | 1.12 | Binding ≤ 10μM |
| NOS3_HUMAN | P29474 | Nitric-oxide Synthase, Endothelial, Human | 300 | 1.01 | 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 |
