| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2005 | 13 | Yes |
Popular Name: N-(5-amino-5-carboxypentyl)-acetamidine N-(5-amino-5-carboxypentyl)-acet…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 150403-89-7 , 159190-45-1 , 53774-63-3
| 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) | -2.15 | 1.54 | -74.91 | 6 | 5 | 1 | 105 | 188.251 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NOS1-2-E | Nitric-oxide Synthase, Brain (cluster #2 Of 7), Eukaryotic | Eukaryotes | 6000 | 0.56 | Binding ≤ 10μM |
| NOS2-7-E | Nitric Oxide Synthase, Inducible (cluster #7 Of 9), Eukaryotic | Eukaryotes | 5000 | 0.57 | Binding ≤ 10μM |
| NOS3-1-E | Nitric Oxide Synthase, Endothelial (cluster #1 Of 7), Eukaryotic | Eukaryotes | 7900 | 0.55 | Binding ≤ 10μM |
| NOS1-2-E | Nitric-oxide Synthase, Brain (cluster #2 Of 3), Eukaryotic | Eukaryotes | 1600 | 0.62 | Functional ≤ 10μM |
| NOS2-1-E | Nitric Oxide Synthase, Inducible (cluster #1 Of 3), Eukaryotic | Eukaryotes | 130 | 0.74 | Functional ≤ 10μM |
| NOS3-1-E | Nitric-oxide Synthase, Endothelial (cluster #1 Of 2), Eukaryotic | Eukaryotes | 2400 | 0.61 | Functional ≤ 10μM |
| Z80120-5-O | DLD-1 (Colon Adenocarcinoma Cells) (cluster #5 Of 5), Other | Other | 2800 | 0.60 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NOS2_HUMAN | P35228 | Nitric Oxide Synthase, Inducible, Human | 100 | 0.75 | Binding ≤ 1μM |
| NOS2_HUMAN | P35228 | Nitric Oxide Synthase, Inducible, Human | 5900 | 0.56 | Binding ≤ 10μM |
| NOS2_MOUSE | P29477 | Nitric Oxide Synthase, Inducible, Mouse | 3300 | 0.59 | Binding ≤ 10μM |
| NOS1_HUMAN | P29475 | Nitric-oxide Synthase, Brain, Human | 1500 | 0.63 | Binding ≤ 10μM |
| NOS3_HUMAN | P29474 | Nitric-oxide Synthase, Endothelial, Human | 2400 | 0.61 | Binding ≤ 10μM |
| Z80120 | Z80120 | DLD-1 (Colon Adenocarcinoma Cells) | 2800 | 0.60 | Functional ≤ 10μM |
| NOS2_HUMAN | P35228 | Nitric Oxide Synthase, Inducible, Human | 130 | 0.74 | Functional ≤ 10μM |
| NOS2_MOUSE | P29477 | Nitric Oxide Synthase, Inducible, Mouse | 2160 | 0.61 | Functional ≤ 10μM |
| NOS1_RAT | P29476 | Nitric-oxide Synthase, Brain, Rat | 1600 | 0.62 | Functional ≤ 10μM |
| NOS3_HUMAN | P29474 | Nitric-oxide Synthase, Endothelial, Human | 2400 | 0.61 | Functional ≤ 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 |
