| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 12th, 2008 | 41 | No |
| 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) | 4.49 | 12.92 | -40.29 | 3 | 8 | 1 | 82 | 560.763 | 11 | ↓ |
| Hi High (pH 8-9.5) | 4.49 | 10.85 | -23.18 | 2 | 8 | 0 | 81 | 559.755 | 11 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NK1R-1-E | Neurokinin 1 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 0 | 0.00 | Binding ≤ 10μM |
| NK1R-1-E | Neurokinin 1 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1 | 0.31 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NK1R_MOUSE | P30548 | Neurokinin 1 Receptor, Mouse | 1.3 | 0.30 | Binding ≤ 1μM |
| NK1R_HUMAN | P25103 | Neurokinin 1 Receptor, Human | 0.34 | 0.32 | Binding ≤ 1μM |
| NK1R_RAT | P14600 | Neurokinin 1 Receptor, Rat | 1.5 | 0.30 | Binding ≤ 1μM |
| NK1R_MOUSE | P30548 | Neurokinin 1 Receptor, Mouse | 1.3 | 0.30 | Binding ≤ 10μM |
| NK1R_HUMAN | P25103 | Neurokinin 1 Receptor, Human | 0.34 | 0.32 | Binding ≤ 10μM |
| NK1R_RAT | P14600 | Neurokinin 1 Receptor, Rat | 1.5 | 0.30 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (q) signalling events | |
| Tachykinin receptors bind tachykinins |
