| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 28 | 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) | 8.14 | -0.41 | -6.19 | 2 | 3 | 0 | 49 | 386.576 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CNR1-1-E | Cannabinoid CB1 Receptor (cluster #1 Of 5), Eukaryotic | Eukaryotes | 0 | 0.00 | Binding ≤ 10μM |
| CNR1-1-E | Cannabinoid CB1 Receptor (cluster #1 Of 5), Eukaryotic | Eukaryotes | 19 | 0.39 | Binding ≤ 10μM |
| CNR1-1-E | Cannabinoid CB1 Receptor (cluster #1 Of 5), Eukaryotic | Eukaryotes | 466 | 0.32 | Binding ≤ 10μM |
| CNR2-3-E | Cannabinoid CB2 Receptor (cluster #3 Of 3), Eukaryotic | Eukaryotes | 0 | 0.00 | Binding ≤ 10μM |
| CNR2-3-E | Cannabinoid CB2 Receptor (cluster #3 Of 3), Eukaryotic | Eukaryotes | 7 | 0.41 | Binding ≤ 10μM |
| CNR2-3-E | Cannabinoid CB2 Receptor (cluster #3 Of 3), Eukaryotic | Eukaryotes | 466 | 0.32 | Binding ≤ 10μM |
| CNR1-1-E | Cannabinoid CB1 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 0 | 0.00 | Functional ≤ 10μM |
| CNR1-1-E | Cannabinoid CB1 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 40 | 0.37 | Functional ≤ 10μM |
| CNR2-1-E | Cannabinoid CB2 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 0 | 0.00 | Functional ≤ 10μM |
| CNR2-1-E | Cannabinoid CB2 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 4 | 0.42 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CNR1_HUMAN | P21554 | Cannabinoid CB1 Receptor, Human | 0.1 | 0.50 | Binding ≤ 1μM |
| CNR1_RAT | P20272 | Cannabinoid CB1 Receptor, Rat | 0.23 | 0.48 | Binding ≤ 1μM |
| CNR2_RAT | Q9QZN9 | Cannabinoid CB2 Receptor, Rat | 0.181 | 0.49 | Binding ≤ 1μM |
| CNR2_HUMAN | P34972 | Cannabinoid CB2 Receptor, Human | 0.15 | 0.49 | Binding ≤ 1μM |
| CNR1_HUMAN | P21554 | Cannabinoid CB1 Receptor, Human | 0.1 | 0.50 | Binding ≤ 10μM |
| CNR1_RAT | P20272 | Cannabinoid CB1 Receptor, Rat | 0.23 | 0.48 | Binding ≤ 10μM |
| CNR2_HUMAN | P34972 | Cannabinoid CB2 Receptor, Human | 0.15 | 0.49 | Binding ≤ 10μM |
| CNR2_RAT | Q9QZN9 | Cannabinoid CB2 Receptor, Rat | 0.181 | 0.49 | Binding ≤ 10μM |
| CNR1_HUMAN | P21554 | Cannabinoid CB1 Receptor, Human | 0.6 | 0.46 | Functional ≤ 10μM |
| CNR1_RAT | P20272 | Cannabinoid CB1 Receptor, Rat | 0.1 | 0.50 | Functional ≤ 10μM |
| CNR2_HUMAN | P34972 | Cannabinoid CB2 Receptor, Human | 3 | 0.43 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Class A/1 (Rhodopsin-like receptors) | |
| G alpha (i) signalling events |
