| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 26th, 2009 | 44 | No |
| 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) | 2.30 | 7.21 | -118.71 | 7 | 10 | 2 | 143 | 616.823 | 9 | ↓ |
| Hi High (pH 8-9.5) | 2.30 | 5.57 | -15.34 | 5 | 10 | 0 | 137 | 614.807 | 9 | ↓ |
| Mid Mid (pH 6-8) | 2.30 | 5.88 | -59.21 | 6 | 10 | 1 | 138 | 615.815 | 9 | ↓ |
| Mid Mid (pH 6-8) | 2.30 | 6.89 | -53.64 | 6 | 10 | 1 | 141 | 615.815 | 9 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MC4R-1-E | Melanocortin Receptor 4 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 30 | 0.24 | Binding ≤ 10μM |
| MC4R-1-E | Melanocortin Receptor 4 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 270 | 0.21 | Functional ≤ 10μM |
| MC5R-1-E | Melanocortin Receptor 5 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2000 | 0.18 | Functional ≤ 10μM |
| Z50594-4-O | Mus Musculus (cluster #4 Of 9), Other | Other | 270 | 0.21 | Functional ≤ 10μM |
| Z50597-1-O | Rattus Norvegicus (cluster #1 Of 12), Other | Other | 270 | 0.21 | Functional ≤ 10μM |
| Z81011-1-O | Human Cell Lines (cluster #1 Of 3), Other | Other | 270 | 0.21 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MC4R_HUMAN | P32245 | Melanocortin Receptor 4, Human | 30 | 0.24 | Binding ≤ 1μM |
| MC4R_HUMAN | P32245 | Melanocortin Receptor 4, Human | 30 | 0.24 | Binding ≤ 10μM |
| Z81011 | Z81011 | Human Cell Lines | 2000 | 0.18 | Functional ≤ 10μM |
| MC4R_HUMAN | P32245 | Melanocortin Receptor 4, Human | 270 | 0.21 | Functional ≤ 10μM |
| MC5R_HUMAN | P33032 | Melanocortin Receptor 5, Human | 2000 | 0.18 | Functional ≤ 10μM |
| Z50594 | Z50594 | Mus Musculus | 270 | 0.21 | Functional ≤ 10μM |
| Z50597 | Z50597 | Rattus Norvegicus | 270 | 0.21 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (s) signalling events | |
| Peptide ligand-binding receptors |
