| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 8th, 2008 | 19 | No |
Popular Name: LS-61123 LS-61123
| 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) | 2.21 | 2 | -7.47 | 3 | 3 | 0 | 52 | 253.301 | 0 | ↓ |
| Mid Mid (pH 6-8) | 2.21 | 3.34 | -53.01 | 4 | 3 | 1 | 57 | 254.309 | 0 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DRD1-1-E | Dopamine D1 Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 33 | 0.55 | Binding ≤ 10μM |
| DRD1-1-E | Dopamine D1 Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 67 | 0.53 | Binding ≤ 10μM |
| DRD1-1-E | Dopamine D1 Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 5300 | 0.39 | Binding ≤ 10μM |
| Z80491-2-O | SK-N-MC (Neuroepithelioma Cells) (cluster #2 Of 4), Other | Other | 190 | 0.50 | Functional ≤ 10μM |
| Z80491-2-O | SK-N-MC (Neuroepithelioma Cells) (cluster #2 Of 4), Other | Other | 220 | 0.49 | Functional ≤ 10μM |
| DRD2-2-E | Dopamine D2 Receptor (cluster #2 Of 24), Eukaryotic | Eukaryotes | 38 | 0.55 | Binding ≤ 10μM |
| DRD2-2-E | Dopamine D2 Receptor (cluster #2 Of 24), Eukaryotic | Eukaryotes | 56 | 0.53 | Binding ≤ 10μM |
| DRD2-2-E | Dopamine D2 Receptor (cluster #2 Of 24), Eukaryotic | Eukaryotes | 1500 | 0.43 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DRD1_RAT | P18901 | Dopamine D1 Receptor, Rat | 67 | 0.53 | Binding ≤ 1μM |
| DRD2_RAT | P61169 | Dopamine D2 Receptor, Rat | 56 | 0.53 | Binding ≤ 1μM |
| DRD1_RAT | P18901 | Dopamine D1 Receptor, Rat | 67 | 0.53 | Binding ≤ 10μM |
| DRD2_RAT | P61169 | Dopamine D2 Receptor, Rat | 56 | 0.53 | Binding ≤ 10μM |
| Z80491 | Z80491 | SK-N-MC (Neuroepithelioma Cells) | 190 | 0.50 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Dopamine receptors | |
| G alpha (i) signalling events |
No pre-computed analogs available. Try a structural similarity search.