| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 13th, 2010 | 36 | Yes |
None
| 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 | 10.83 | -63.46 | 4 | 7 | 1 | 97 | 491.587 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.12 | 10.52 | -22.61 | 3 | 7 | 0 | 96 | 490.579 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MC3R-1-E | Melanocortin Receptor 3 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2832 | 0.22 | Binding ≤ 10μM |
| MC4R-1-E | Melanocortin Receptor 4 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 98 | 0.27 | Binding ≤ 10μM |
| MC3R-1-E | Melanocortin Receptor 3 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 300 | 0.25 | Functional ≤ 10μM |
| MC4R-1-E | Melanocortin Receptor 4 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 37 | 0.29 | Functional ≤ 10μM |
| MSHR-1-E | Melanocortin Receptor 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2300 | 0.22 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MC4R_HUMAN | P32245 | Melanocortin Receptor 4, Human | 98 | 0.27 | Binding ≤ 1μM |
| MC3R_HUMAN | P41968 | Melanocortin Receptor 3, Human | 2832 | 0.22 | Binding ≤ 10μM |
| MC4R_HUMAN | P32245 | Melanocortin Receptor 4, Human | 98 | 0.27 | Binding ≤ 10μM |
| MSHR_HUMAN | Q01726 | Melanocortin Receptor 1, Human | 2300 | 0.22 | Functional ≤ 10μM |
| MC3R_HUMAN | P41968 | Melanocortin Receptor 3, Human | 300 | 0.25 | Functional ≤ 10μM |
| MC4R_HUMAN | P32245 | Melanocortin Receptor 4, Human | 37 | 0.29 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (s) signalling events | |
| Peptide ligand-binding receptors |
