In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 10th, 2010 | 39 | 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) | 6.52 | 17.76 | -48.35 | 2 | 5 | 1 | 42 | 566.528 | 8 | ↓ |
Mid Mid (pH 6-8) | 6.52 | 15.54 | -10.98 | 1 | 5 | 0 | 41 | 565.52 | 8 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
5HT2A-1-E | Serotonin 2a (5-HT2a) Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 4 | 0.30 | Binding ≤ 10μM |
5HT2C-1-E | Serotonin 2c (5-HT2c) Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 466 | 0.23 | Binding ≤ 10μM |
5HT7R-1-E | Serotonin 7 (5-HT7) Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 524 | 0.23 | Binding ≤ 10μM |
SC6A4-1-E | Serotonin Transporter (cluster #1 Of 4), Eukaryotic | Eukaryotes | 266 | 0.24 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
5HT2A_HUMAN | P28223 | Serotonin 2a (5-HT2a) Receptor, Human | 4.1 | 0.30 | Binding ≤ 1μM |
5HT2C_HUMAN | P28335 | Serotonin 2c (5-HT2c) Receptor, Human | 466 | 0.23 | Binding ≤ 1μM |
5HT7R_HUMAN | P34969 | Serotonin 7 (5-HT7) Receptor, Human | 524 | 0.23 | Binding ≤ 1μM |
SC6A4_HUMAN | P31645 | Serotonin Transporter, Human | 266 | 0.24 | Binding ≤ 1μM |
5HT2A_HUMAN | P28223 | Serotonin 2a (5-HT2a) Receptor, Human | 4.1 | 0.30 | Binding ≤ 10μM |
5HT2C_HUMAN | P28335 | Serotonin 2c (5-HT2c) Receptor, Human | 466 | 0.23 | Binding ≤ 10μM |
5HT7R_HUMAN | P34969 | Serotonin 7 (5-HT7) Receptor, Human | 524 | 0.23 | Binding ≤ 10μM |
SC6A4_HUMAN | P31645 | Serotonin Transporter, Human | 266 | 0.24 | Binding ≤ 10μM |
Description | Species |
---|---|
G alpha (q) signalling events | |
G alpha (s) signalling events | |
Serotonin receptors |