| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 12th, 2009 | 16 | No |
Popular Name: 4-[(1S)-1-amino-2-hydroxy-2-oxo-ethyl]cubane-1-carboxylic 4-[(1S)-1-amino-2-hydroxy-2-oxo-…
| 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) | -2.12 | 3.18 | -97.98 | 3 | 5 | -1 | 108 | 220.204 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -2.12 | 2.06 | -54.69 | 4 | 5 | 0 | 105 | 221.212 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GRM2-1-E | Metabotropic Glutamate Receptor 2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 10000 | 0.44 | Binding ≤ 10μM |
| GRM5-4-E | Metabotropic Glutamate Receptor 5 (cluster #4 Of 5), Eukaryotic | Eukaryotes | 1000 | 0.53 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GRM5_HUMAN | P41594 | Metabotropic Glutamate Receptor 5, Human | 1000 | 0.53 | Binding ≤ 1μM |
| GRM2_HUMAN | Q14416 | Metabotropic Glutamate Receptor 2, Human | 10000 | 0.44 | Binding ≤ 10μM |
| GRM5_HUMAN | P41594 | Metabotropic Glutamate Receptor 5, Human | 1000 | 0.53 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Class C/3 (Metabotropic glutamate/pheromone receptors) | |
| G alpha (i) signalling events | |
| G alpha (q) signalling events |
