In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 15th, 2009 | 52 | 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) | 1.36 | 8.03 | -76.27 | 9 | 13 | 1 | 207 | 738.976 | 22 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
NK1R-1-E | Neurokinin 1 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 86 | 0.19 | Functional ≤ 10μM |
NK2R-1-E | Neurokinin 2 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 62 | 0.19 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
NK1R_HUMAN | P25103 | Neurokinin 1 Receptor, Human | 86 | 0.19 | Functional ≤ 10μM |
NK2R_RAT | P16610 | Neurokinin 2 Receptor, Rat | 62 | 0.19 | Functional ≤ 10μM |
Description | Species |
---|---|
G alpha (q) signalling events | |
Tachykinin receptors bind tachykinins |