In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 23rd, 2008 | 34 | 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) | 5.57 | 12.54 | -96 | 3 | 6 | 2 | 60 | 474.527 | 9 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
5HT1B-1-E | Serotonin 1b (5-HT1b) Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 800 | 0.25 | Binding ≤ 10μM |
5HT2A-1-E | Serotonin 2a (5-HT2a) Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 1900 | 0.24 | Binding ≤ 10μM |
5HT2C-1-E | Serotonin 2c (5-HT2c) Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 900 | 0.25 | Binding ≤ 10μM |
ACM1-3-E | Muscarinic Acetylcholine Receptor M1 (cluster #3 Of 5), Eukaryotic | Eukaryotes | 1300 | 0.24 | Binding ≤ 10μM |
ACM2-1-E | Muscarinic Acetylcholine Receptor M2 (cluster #1 Of 6), Eukaryotic | Eukaryotes | 480 | 0.26 | Binding ≤ 10μM |
ADA2A-1-E | Alpha-2a Adrenergic Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 1 | 0.37 | Binding ≤ 10μM |
ADA2B-1-E | Alpha-2b Adrenergic Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 1 | 0.37 | Binding ≤ 10μM |
ADA2C-1-E | Alpha-2c Adrenergic Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 1 | 0.37 | Binding ≤ 10μM |
DRD1-2-E | Dopamine D1 Receptor (cluster #2 Of 4), Eukaryotic | Eukaryotes | 900 | 0.25 | Binding ≤ 10μM |
DRD3-1-E | Dopamine D3 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 2300 | 0.23 | Binding ≤ 10μM |
HRH2-1-E | Histamine H2 Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 860 | 0.25 | Binding ≤ 10μM |
MCHR1-2-E | Melanin-concentrating Hormone Receptor 1 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 19 | 0.32 | Binding ≤ 10μM |
SC6A3-1-E | Dopamine Transporter (cluster #1 Of 3), Eukaryotic | Eukaryotes | 10000 | 0.21 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
ADA2A_HUMAN | P08913 | Alpha-2a Adrenergic Receptor, Human | 1.3 | 0.37 | Binding ≤ 1μM |
ADA2B_HUMAN | P18089 | Alpha-2b Adrenergic Receptor, Human | 1.3 | 0.37 | Binding ≤ 1μM |
ADA2C_HUMAN | P18825 | Alpha-2c Adrenergic Receptor, Human | 1.3 | 0.37 | Binding ≤ 1μM |
DRD1_HUMAN | P21728 | Dopamine D1 Receptor, Human | 900 | 0.25 | Binding ≤ 1μM |
HRH2_HUMAN | P25021 | Histamine H2 Receptor, Human | 860 | 0.25 | Binding ≤ 1μM |
MCHR1_HUMAN | Q99705 | Melanin-concentrating Hormone Receptor 1, Human | 144 | 0.28 | Binding ≤ 1μM |
ACM2_HUMAN | P08172 | Muscarinic Acetylcholine Receptor M2, Human | 480 | 0.26 | Binding ≤ 1μM |
5HT1B_HUMAN | P28222 | Serotonin 1b (5-HT1b) Receptor, Human | 800 | 0.25 | Binding ≤ 1μM |
5HT2C_HUMAN | P28335 | Serotonin 2c (5-HT2c) Receptor, Human | 900 | 0.25 | Binding ≤ 1μM |
ADA2A_HUMAN | P08913 | Alpha-2a Adrenergic Receptor, Human | 1.3 | 0.37 | Binding ≤ 10μM |
ADA2B_HUMAN | P18089 | Alpha-2b Adrenergic Receptor, Human | 1.3 | 0.37 | Binding ≤ 10μM |
ADA2C_HUMAN | P18825 | Alpha-2c Adrenergic Receptor, Human | 1.3 | 0.37 | Binding ≤ 10μM |
DRD1_HUMAN | P21728 | Dopamine D1 Receptor, Human | 900 | 0.25 | Binding ≤ 10μM |
DRD3_HUMAN | P35462 | Dopamine D3 Receptor, Human | 2300 | 0.23 | Binding ≤ 10μM |
SC6A3_HUMAN | Q01959 | Dopamine Transporter, Human | 10000 | 0.21 | Binding ≤ 10μM |
HRH2_HUMAN | P25021 | Histamine H2 Receptor, Human | 860 | 0.25 | Binding ≤ 10μM |
MCHR1_HUMAN | Q99705 | Melanin-concentrating Hormone Receptor 1, Human | 144 | 0.28 | Binding ≤ 10μM |
ACM1_HUMAN | P11229 | Muscarinic Acetylcholine Receptor M1, Human | 1300 | 0.24 | Binding ≤ 10μM |
ACM2_HUMAN | P08172 | Muscarinic Acetylcholine Receptor M2, Human | 480 | 0.26 | Binding ≤ 10μM |
5HT1B_HUMAN | P28222 | Serotonin 1b (5-HT1b) Receptor, Human | 800 | 0.25 | Binding ≤ 10μM |
5HT2A_HUMAN | P28223 | Serotonin 2a (5-HT2a) Receptor, Human | 1900 | 0.24 | Binding ≤ 10μM |
5HT2C_HUMAN | P28335 | Serotonin 2c (5-HT2c) Receptor, Human | 900 | 0.25 | Binding ≤ 10μM |
Description | Species |
---|---|
Adrenaline signalling through Alpha-2 adrenergic receptor | |
Adrenaline,noradrenaline inhibits insulin secretion | |
Adrenoceptors | |
Dopamine clearance from the synaptic cleft | |
Dopamine receptors | |
G alpha (i) signalling events | |
G alpha (q) signalling events | |
G alpha (s) signalling events | |
G alpha (z) signalling events | |
Histamine receptors | |
Muscarinic acetylcholine receptors | |
Na+/Cl- dependent neurotransmitter transporters | |
Peptide ligand-binding receptors | |
Serotonin receptors |
No pre-computed analogs available. Try a structural similarity search.