In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 3rd, 2009 | 38 | 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) | 3.21 | 12.44 | -64.1 | 4 | 7 | 1 | 97 | 519.641 | 9 | ↓ |
Mid Mid (pH 6-8) | 3.21 | 12.11 | -23.32 | 3 | 7 | 0 | 96 | 518.633 | 9 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
MC3R-1-E | Melanocortin Receptor 3 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 727 | 0.23 | Binding ≤ 10μM |
MC4R-1-E | Melanocortin Receptor 4 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 76 | 0.26 | Binding ≤ 10μM |
MSHR-1-E | Melanocortin Receptor 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 10000 | 0.18 | Binding ≤ 10μM |
MC3R-1-E | Melanocortin Receptor 3 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 149 | 0.25 | Functional ≤ 10μM |
MC4R-1-E | Melanocortin Receptor 4 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 28 | 0.28 | Functional ≤ 10μM |
MSHR-1-E | Melanocortin Receptor 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1505 | 0.21 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
MC3R_HUMAN | P41968 | Melanocortin Receptor 3, Human | 727 | 0.23 | Binding ≤ 1μM |
MC4R_HUMAN | P32245 | Melanocortin Receptor 4, Human | 76 | 0.26 | Binding ≤ 1μM |
MSHR_HUMAN | Q01726 | Melanocortin Receptor 1, Human | 10000 | 0.18 | Binding ≤ 10μM |
MC3R_HUMAN | P41968 | Melanocortin Receptor 3, Human | 727 | 0.23 | Binding ≤ 10μM |
MC4R_HUMAN | P32245 | Melanocortin Receptor 4, Human | 76 | 0.26 | Binding ≤ 10μM |
MSHR_HUMAN | Q01726 | Melanocortin Receptor 1, Human | 1505 | 0.21 | Functional ≤ 10μM |
MC3R_HUMAN | P41968 | Melanocortin Receptor 3, Human | 149 | 0.25 | Functional ≤ 10μM |
MC4R_HUMAN | P32245 | Melanocortin Receptor 4, Human | 28 | 0.28 | Functional ≤ 10μM |
Description | Species |
---|---|
G alpha (s) signalling events | |
Peptide ligand-binding receptors |