| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 4th, 2009 | 33 | Yes |
Popular Name: (2S)-2-(benzylcarbamoylamino)-3-(1H-indol-3-yl)-N-(p-tolylmethyl)propanamide (2S)-2-(benzylcarbamoylamino)-3-…
| 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) | 4.04 | 8.8 | -13.91 | 4 | 6 | 0 | 86 | 440.547 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MC4R-1-E | Melanocortin Receptor 4 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 400 | 0.27 | Functional ≤ 10μM |
| MC5R-1-E | Melanocortin Receptor 5 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 4900 | 0.23 | Functional ≤ 10μM |
| MSHR-1-E | Melanocortin Receptor 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 400 | 0.27 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MSHR_MOUSE | Q01727 | Melanocortin Receptor 1, Mouse | 400 | 0.27 | Functional ≤ 10μM |
| MC4R_MOUSE | P56450 | Melanocortin Receptor 4, Mouse | 400 | 0.27 | Functional ≤ 10μM |
| MC5R_MOUSE | P41149 | Melanocortin Receptor 5, Mouse | 4900 | 0.23 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (s) signalling events | |
| Peptide ligand-binding receptors |
