In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 26th, 2005 | 33 | Yes |
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) | 4.58 | 11.47 | -14.48 | 2 | 5 | 0 | 71 | 472.385 | 9 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
NK1R-1-E | Neurokinin 1 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 3 | 0.36 | Binding ≤ 10μM |
NK1R-1-E | Neurokinin 1 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 8 | 0.34 | Binding ≤ 10μM |
NK2R-1-E | Neurokinin 2 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 398 | 0.27 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
NK1R_HUMAN | P25103 | Neurokinin 1 Receptor, Human | 2.5 | 0.36 | Binding ≤ 1μM |
NK1R_RAT | P14600 | Neurokinin 1 Receptor, Rat | 130 | 0.29 | Binding ≤ 1μM |
NK2R_RAT | P16610 | Neurokinin 2 Receptor, Rat | 134 | 0.29 | Binding ≤ 1μM |
NK1R_HUMAN | P25103 | Neurokinin 1 Receptor, Human | 2.5 | 0.36 | Binding ≤ 10μM |
NK1R_RAT | P14600 | Neurokinin 1 Receptor, Rat | 130 | 0.29 | Binding ≤ 10μM |
NK2R_RAT | P16610 | Neurokinin 2 Receptor, Rat | 134 | 0.29 | Binding ≤ 10μM |
Description | Species |
---|---|
G alpha (q) signalling events | |
Tachykinin receptors bind tachykinins |