In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 20th, 2008 | 20 | No |
Popular Name: N-[(5-chloro-2-nitro-phenyl)methyl]-N,1-dimethyl-piperidin-4-amine N-[(5-chloro-2-nitro-phenyl)meth…
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) | 2.73 | 8.38 | -39.13 | 1 | 5 | 1 | 53 | 298.794 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.73 | 8.03 | -35.47 | 1 | 5 | 1 | 53 | 298.794 | 4 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
NOS1-1-E | Nitric-oxide Synthase, Brain (cluster #1 Of 7), Eukaryotic | Eukaryotes | 80 | 0.50 | Binding ≤ 10μM |
NOS2-4-E | Nitric Oxide Synthase, Inducible (cluster #4 Of 9), Eukaryotic | Eukaryotes | 90 | 0.49 | Binding ≤ 10μM |
NOS3-3-E | Nitric Oxide Synthase, Endothelial (cluster #3 Of 7), Eukaryotic | Eukaryotes | 180 | 0.47 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
NOS2_HUMAN | P35228 | Nitric Oxide Synthase, Inducible, Human | 90 | 0.49 | Binding ≤ 1μM |
NOS1_HUMAN | P29475 | Nitric-oxide Synthase, Brain, Human | 80 | 0.50 | Binding ≤ 1μM |
NOS3_HUMAN | P29474 | Nitric-oxide Synthase, Endothelial, Human | 180 | 0.47 | Binding ≤ 1μM |
NOS2_HUMAN | P35228 | Nitric Oxide Synthase, Inducible, Human | 1100 | 0.42 | Binding ≤ 10μM |
NOS1_HUMAN | P29475 | Nitric-oxide Synthase, Brain, Human | 80 | 0.50 | Binding ≤ 10μM |
NOS3_HUMAN | P29474 | Nitric-oxide Synthase, Endothelial, Human | 180 | 0.47 | 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 |