In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 19th, 2004 | 35 | 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) | 4.57 | -0.57 | -12.93 | 1 | 6 | 0 | 67 | 513.421 | 7 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
OX1R-1-E | Orexin Receptor 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 5300 | 0.21 | Binding ≤ 10μM |
OX2R-1-E | Orexin Receptor 2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 36 | 0.30 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
OX2R_HUMAN | O43614 | Orexin Receptor 2, Human | 36 | 0.30 | Binding ≤ 1μM |
OX1R_HUMAN | O43613 | Orexin Receptor 1, Human | 5300 | 0.21 | Binding ≤ 10μM |
OX2R_HUMAN | O43614 | Orexin Receptor 2, Human | 36 | 0.30 | Binding ≤ 10μM |
Description | Species |
---|---|
G alpha (q) signalling events | |
Orexin and neuropeptides FF and QRFP bind to their respective receptors |