|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
And 49 More
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
5HT1A-3-E |
Serotonin 1a (5-HT1a) Receptor (cluster #3 Of 4), Eukaryotic |
Eukaryotes |
35 |
0.80 |
Binding ≤ 10μM
|
5HT1B-1-E |
Serotonin 1b (5-HT1b) Receptor (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
74 |
0.77 |
Binding ≤ 10μM
|
5HT1D-1-E |
Serotonin 1d (5-HT1d) Receptor (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
150 |
0.73 |
Binding ≤ 10μM
|
5HT1E-2-E |
Serotonin 1e (5-HT1e) Receptor (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
150 |
0.73 |
Binding ≤ 10μM
|
5HT1F-2-E |
Serotonin 1f (5-HT1f) Receptor (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
150 |
0.73 |
Binding ≤ 10μM
|
5HT5A-1-E |
Serotonin 5a (5-HT5a) Receptor (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
215 |
0.72 |
Binding ≤ 10μM
|
Z104304-1-O |
Adrenergic Receptor Alpha-1 (cluster #1 Of 3), Other |
Other |
516 |
0.68 |
Binding ≤ 10μM
|
Physical Representations
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)
|
1.07 |
0.86 |
-42.83 |
3 |
3 |
1 |
40 |
179.243 |
1 |
↓
|
|
|
Analogs
-
36805528
-
-
38526002
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 71 More
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
5HT1A-4-E |
Serotonin 1a (5-HT1a) Receptor (cluster #4 Of 4), Eukaryotic |
Eukaryotes |
81 |
0.62 |
Binding ≤ 10μM
|
5HT1B-1-E |
Serotonin 1b (5-HT1b) Receptor (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
51 |
0.64 |
Binding ≤ 10μM
|
5HT1D-1-E |
Serotonin 1d (5-HT1d) Receptor (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
20 |
0.67 |
Binding ≤ 10μM
|
5HT1E-2-E |
Serotonin 1e (5-HT1e) Receptor (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
20 |
0.67 |
Binding ≤ 10μM
|
5HT1F-1-E |
Serotonin 1f (5-HT1f) Receptor (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
20 |
0.67 |
Binding ≤ 10μM
|
5HT2A-1-E |
Serotonin 2a (5-HT2a) Receptor (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
570 |
0.55 |
Binding ≤ 10μM
|
5HT2B-2-E |
Serotonin 2b (5-HT2b) Receptor (cluster #2 Of 4), Eukaryotic |
Eukaryotes |
570 |
0.55 |
Binding ≤ 10μM
|
5HT2C-2-E |
Serotonin 2c (5-HT2c) Receptor (cluster #2 Of 3), Eukaryotic |
Eukaryotes |
150 |
0.60 |
Binding ≤ 10μM
|
5HT3A-2-E |
Serotonin 3a (5-HT3a) Receptor (cluster #2 Of 5), Eukaryotic |
Eukaryotes |
1390 |
0.51 |
Binding ≤ 10μM
|
5HT3B-2-E |
Serotonin 3b (5-HT3b) Receptor (cluster #2 Of 4), Eukaryotic |
Eukaryotes |
1390 |
0.51 |
Binding ≤ 10μM
|
5HT3C-2-E |
Serotonin 3c (5-HT3c) Receptor (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
1390 |
0.51 |
Binding ≤ 10μM
|
5HT3D-2-E |
Serotonin 3d (5-HT3d) Receptor (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
1390 |
0.51 |
Binding ≤ 10μM
|
5HT3E-2-E |
Serotonin 3e (5-HT3e) Receptor (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
1390 |
0.51 |
Binding ≤ 10μM
|
SGMR1-4-E |
Sigma Opioid Receptor (cluster #4 Of 6), Eukaryotic |
Eukaryotes |
1340 |
0.51 |
Binding ≤ 10μM
|
DRD2-11-E |
Dopamine D2 Receptor (cluster #11 Of 24), Eukaryotic |
Eukaryotes |
530 |
0.55 |
Binding ≤ 10μM
|
Z104304-1-O |
Adrenergic Receptor Alpha-1 (cluster #1 Of 3), Other |
Other |
337 |
0.57 |
Binding ≤ 10μM
|
Physical Representations
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)
|
2.21 |
5.5 |
-44.85 |
2 |
2 |
1 |
20 |
231.241 |
2 |
↓
|
Hi
High (pH 8-9.5)
|
2.21 |
4.19 |
-3.72 |
1 |
2 |
0 |
15 |
230.233 |
2 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
And 22 More
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
5HT1A-3-E |
Serotonin 1a (5-HT1a) Receptor (cluster #3 Of 4), Eukaryotic |
Eukaryotes |
5 |
0.73 |
Binding ≤ 10μM
|
5HT1B-1-E |
Serotonin 1b (5-HT1b) Receptor (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
5 |
0.73 |
Binding ≤ 10μM
|
5HT1D-2-E |
Serotonin 1d (5-HT1d) Receptor (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
5 |
0.73 |
Binding ≤ 10μM
|
5HT1E-2-E |
Serotonin 1e (5-HT1e) Receptor (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
5 |
0.73 |
Binding ≤ 10μM
|
5HT1F-1-E |
Serotonin 1f (5-HT1f) Receptor (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
5 |
0.73 |
Binding ≤ 10μM
|
5HT2A-1-E |
Serotonin 2a (5-HT2a) Receptor (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
62 |
0.63 |
Binding ≤ 10μM
|
5HT2B-2-E |
Serotonin 2b (5-HT2b) Receptor (cluster #2 Of 4), Eukaryotic |
Eukaryotes |
62 |
0.63 |
Binding ≤ 10μM
|
5HT2C-2-E |
Serotonin 2c (5-HT2c) Receptor (cluster #2 Of 3), Eukaryotic |
Eukaryotes |
62 |
0.63 |
Binding ≤ 10μM
|
5HT3A-2-E |
Serotonin 3a (5-HT3a) Receptor (cluster #2 Of 5), Eukaryotic |
Eukaryotes |
175 |
0.59 |
Binding ≤ 10μM
|
5HT3B-2-E |
Serotonin 3b (5-HT3b) Receptor (cluster #2 Of 4), Eukaryotic |
Eukaryotes |
175 |
0.59 |
Binding ≤ 10μM
|
5HT3C-2-E |
Serotonin 3c (5-HT3c) Receptor (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
175 |
0.59 |
Binding ≤ 10μM
|
5HT3D-2-E |
Serotonin 3d (5-HT3d) Receptor (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
175 |
0.59 |
Binding ≤ 10μM
|
5HT3E-2-E |
Serotonin 3e (5-HT3e) Receptor (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
175 |
0.59 |
Binding ≤ 10μM
|
5HT5A-1-E |
Serotonin 5a (5-HT5a) Receptor (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
40 |
0.65 |
Binding ≤ 10μM
|
5HT6R-1-E |
Serotonin 6 (5-HT6) Receptor (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
120 |
0.61 |
Binding ≤ 10μM
|
5HT7R-1-E |
Serotonin 7 (5-HT7) Receptor (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
83 |
0.62 |
Binding ≤ 10μM
|
SGMR1-4-E |
Sigma Opioid Receptor (cluster #4 Of 6), Eukaryotic |
Eukaryotes |
2720 |
0.49 |
Binding ≤ 10μM
|
Z50425-7-O |
Plasmodium Falciparum (cluster #7 Of 22), Other |
Other |
7943 |
0.45 |
Functional ≤ 10μM
|
Physical Representations
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)
|
2.50 |
7.56 |
-41.85 |
2 |
2 |
1 |
20 |
213.304 |
1 |
↓
|
Hi
High (pH 8-9.5)
|
2.50 |
6.06 |
-3.52 |
1 |
2 |
0 |
15 |
212.296 |
1 |
↓
|
|
|
Analogs
-
6274060
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 10 More
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
5HT1A-3-E |
Serotonin 1a (5-HT1a) Receptor (cluster #3 Of 4), Eukaryotic |
Eukaryotes |
2900 |
0.48 |
Binding ≤ 10μM
|
5HT1B-1-E |
Serotonin 1b (5-HT1b) Receptor (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
265 |
0.58 |
Binding ≤ 10μM
|
5HT1D-2-E |
Serotonin 1d (5-HT1d) Receptor (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
265 |
0.58 |
Binding ≤ 10μM
|
5HT1E-2-E |
Serotonin 1e (5-HT1e) Receptor (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
265 |
0.58 |
Binding ≤ 10μM
|
5HT1F-1-E |
Serotonin 1f (5-HT1f) Receptor (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
265 |
0.58 |
Binding ≤ 10μM
|
5HT2A-1-E |
Serotonin 2a (5-HT2a) Receptor (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
70 |
0.63 |
Binding ≤ 10μM
|
5HT2B-2-E |
Serotonin 2b (5-HT2b) Receptor (cluster #2 Of 4), Eukaryotic |
Eukaryotes |
70 |
0.63 |
Binding ≤ 10μM
|
5HT2C-2-E |
Serotonin 2c (5-HT2c) Receptor (cluster #2 Of 3), Eukaryotic |
Eukaryotes |
70 |
0.63 |
Binding ≤ 10μM
|
5HT3A-2-E |
Serotonin 3a (5-HT3a) Receptor (cluster #2 Of 5), Eukaryotic |
Eukaryotes |
32 |
0.66 |
Binding ≤ 10μM
|
5HT3B-2-E |
Serotonin 3b (5-HT3b) Receptor (cluster #2 Of 4), Eukaryotic |
Eukaryotes |
32 |
0.66 |
Binding ≤ 10μM
|
5HT3C-2-E |
Serotonin 3c (5-HT3c) Receptor (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
32 |
0.66 |
Binding ≤ 10μM
|
5HT3D-2-E |
Serotonin 3d (5-HT3d) Receptor (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
32 |
0.66 |
Binding ≤ 10μM
|
5HT3E-2-E |
Serotonin 3e (5-HT3e) Receptor (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
32 |
0.66 |
Binding ≤ 10μM
|
5HT5A-1-E |
Serotonin 5a (5-HT5a) Receptor (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
2100 |
0.50 |
Binding ≤ 10μM
|
SGMR1-4-E |
Sigma Opioid Receptor (cluster #4 Of 6), Eukaryotic |
Eukaryotes |
550 |
0.55 |
Binding ≤ 10μM
|
Physical Representations
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)
|
2.52 |
-2.87 |
-43.55 |
2 |
2 |
1 |
20 |
213.304 |
1 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
5HT1A-1-E |
Serotonin 1a (5-HT1a) Receptor (cluster #1 Of 4), Eukaryotic |
Eukaryotes |
820 |
0.50 |
Binding ≤ 10μM
|
5HT1B-1-E |
Serotonin 1b (5-HT1b) Receptor (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
820 |
0.50 |
Binding ≤ 10μM
|
5HT1D-1-E |
Serotonin 1d (5-HT1d) Receptor (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
820 |
0.50 |
Binding ≤ 10μM
|
5HT1E-2-E |
Serotonin 1e (5-HT1e) Receptor (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
820 |
0.50 |
Binding ≤ 10μM
|
5HT1F-2-E |
Serotonin 1f (5-HT1f) Receptor (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
820 |
0.50 |
Binding ≤ 10μM
|
5HT2A-2-E |
Serotonin 2a (5-HT2a) Receptor (cluster #2 Of 3), Eukaryotic |
Eukaryotes |
2430 |
0.46 |
Binding ≤ 10μM
|
5HT2B-3-E |
Serotonin 2b (5-HT2b) Receptor (cluster #3 Of 4), Eukaryotic |
Eukaryotes |
2430 |
0.46 |
Binding ≤ 10μM
|
5HT2C-3-E |
Serotonin 2c (5-HT2c) Receptor (cluster #3 Of 3), Eukaryotic |
Eukaryotes |
2430 |
0.46 |
Binding ≤ 10μM
|
Physical Representations
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)
|
2.11 |
-3.36 |
-46.37 |
2 |
4 |
1 |
38 |
302.192 |
3 |
↓
|
|
|
Analogs
-
1556646
-
-
8462937
-
-
34320168
-
-
39280325
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 81 More
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
5HT1A-4-E |
Serotonin 1a (5-HT1a) Receptor (cluster #4 Of 4), Eukaryotic |
Eukaryotes |
500 |
0.74 |
Binding ≤ 10μM
|
5HT1B-1-E |
Serotonin 1b (5-HT1b) Receptor (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
63 |
0.84 |
Binding ≤ 10μM
|
5HT1D-2-E |
Serotonin 1d (5-HT1d) Receptor (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
149 |
0.80 |
Binding ≤ 10μM
|
5HT1E-2-E |
Serotonin 1e (5-HT1e) Receptor (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
135 |
0.80 |
Binding ≤ 10μM
|
5HT1F-1-E |
Serotonin 1f (5-HT1f) Receptor (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
149 |
0.80 |
Binding ≤ 10μM
|
5HT2A-1-E |
Serotonin 2a (5-HT2a) Receptor (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
668 |
0.72 |
Binding ≤ 10μM
|
5HT2B-2-E |
Serotonin 2b (5-HT2b) Receptor (cluster #2 Of 4), Eukaryotic |
Eukaryotes |
668 |
0.72 |
Binding ≤ 10μM
|
5HT2C-2-E |
Serotonin 2c (5-HT2c) Receptor (cluster #2 Of 3), Eukaryotic |
Eukaryotes |
668 |
0.72 |
Binding ≤ 10μM
|
5HT3A-2-E |
Serotonin 3a (5-HT3a) Receptor (cluster #2 Of 5), Eukaryotic |
Eukaryotes |
3000 |
0.64 |
Binding ≤ 10μM
|
5HT3B-2-E |
Serotonin 3b (5-HT3b) Receptor (cluster #2 Of 4), Eukaryotic |
Eukaryotes |
3000 |
0.64 |
Binding ≤ 10μM
|
5HT3C-2-E |
Serotonin 3c (5-HT3c) Receptor (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
3000 |
0.64 |
Binding ≤ 10μM
|
5HT3D-2-E |
Serotonin 3d (5-HT3d) Receptor (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
3000 |
0.64 |
Binding ≤ 10μM
|
5HT3E-2-E |
Serotonin 3e (5-HT3e) Receptor (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
3000 |
0.64 |
Binding ≤ 10μM
|
DRD2-11-E |
Dopamine D2 Receptor (cluster #11 Of 24), Eukaryotic |
Eukaryotes |
6800 |
0.60 |
Binding ≤ 10μM
|
Z104304-2-O |
Adrenergic Receptor Alpha-1 (cluster #2 Of 3), Other |
Other |
794 |
0.71 |
Binding ≤ 10μM
|
Physical Representations
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)
|
1.34 |
3.36 |
-41.04 |
2 |
2 |
1 |
20 |
163.244 |
1 |
↓
|
|
|
Analogs
-
2580783
-
-
34434918
-
-
36472586
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 105 More
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
5HT1A-3-E |
Serotonin 1a (5-HT1a) Receptor (cluster #3 Of 4), Eukaryotic |
Eukaryotes |
10 |
0.80 |
Binding ≤ 10μM
|
5HT1B-1-E |
Serotonin 1b (5-HT1b) Receptor (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
35 |
0.75 |
Binding ≤ 10μM
|
5HT1D-1-E |
Serotonin 1d (5-HT1d) Receptor (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
35 |
0.75 |
Binding ≤ 10μM
|
5HT1E-2-E |
Serotonin 1e (5-HT1e) Receptor (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
35 |
0.75 |
Binding ≤ 10μM
|
5HT1F-2-E |
Serotonin 1f (5-HT1f) Receptor (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
35 |
0.75 |
Binding ≤ 10μM
|
5HT2A-2-E |
Serotonin 2a (5-HT2a) Receptor (cluster #2 Of 3), Eukaryotic |
Eukaryotes |
3500 |
0.55 |
Binding ≤ 10μM
|
5HT2B-3-E |
Serotonin 2b (5-HT2b) Receptor (cluster #3 Of 4), Eukaryotic |
Eukaryotes |
3500 |
0.55 |
Binding ≤ 10μM
|
5HT2C-3-E |
Serotonin 2c (5-HT2c) Receptor (cluster #3 Of 3), Eukaryotic |
Eukaryotes |
3500 |
0.55 |
Binding ≤ 10μM
|
5HT3A-2-E |
Serotonin 3a (5-HT3a) Receptor (cluster #2 Of 5), Eukaryotic |
Eukaryotes |
2500 |
0.56 |
Binding ≤ 10μM
|
5HT3B-2-E |
Serotonin 3b (5-HT3b) Receptor (cluster #2 Of 4), Eukaryotic |
Eukaryotes |
2500 |
0.56 |
Binding ≤ 10μM
|
5HT3C-2-E |
Serotonin 3c (5-HT3c) Receptor (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
2500 |
0.56 |
Binding ≤ 10μM
|
5HT3D-2-E |
Serotonin 3d (5-HT3d) Receptor (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
2500 |
0.56 |
Binding ≤ 10μM
|
5HT3E-2-E |
Serotonin 3e (5-HT3e) Receptor (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
2500 |
0.56 |
Binding ≤ 10μM
|
5HT6R-1-E |
Serotonin 6 (5-HT6) Receptor (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
1 |
0.90 |
Binding ≤ 10μM
|
ADA1A-3-E |
Alpha-1a Adrenergic Receptor (cluster #3 Of 3), Eukaryotic |
Eukaryotes |
3508 |
0.55 |
Binding ≤ 10μM
|
ADRB1-2-E |
Beta-1 Adrenergic Receptor (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
2000 |
0.57 |
Binding ≤ 10μM
|
DRD2-11-E |
Dopamine D2 Receptor (cluster #11 Of 24), Eukaryotic |
Eukaryotes |
1200 |
0.59 |
Binding ≤ 10μM
|
Z104304-1-O |
Adrenergic Receptor Alpha-1 (cluster #1 Of 3), Other |
Other |
510 |
0.63 |
Binding ≤ 10μM
|
Physical Representations
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)
|
1.35 |
4.29 |
-39.16 |
2 |
3 |
1 |
29 |
193.27 |
2 |
↓
|
Hi
High (pH 8-9.5)
|
1.35 |
2.98 |
-3.93 |
1 |
3 |
0 |
24 |
192.262 |
2 |
↓
|
|
|
Analogs
-
36472586
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 2 More
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
5HT1A-3-E |
Serotonin 1a (5-HT1a) Receptor (cluster #3 Of 4), Eukaryotic |
Eukaryotes |
1035 |
0.52 |
Binding ≤ 10μM
|
5HT1B-1-E |
Serotonin 1b (5-HT1b) Receptor (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
1035 |
0.52 |
Binding ≤ 10μM
|
5HT1D-1-E |
Serotonin 1d (5-HT1d) Receptor (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
1035 |
0.52 |
Binding ≤ 10μM
|
5HT1E-2-E |
Serotonin 1e (5-HT1e) Receptor (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
1035 |
0.52 |
Binding ≤ 10μM
|
5HT1F-2-E |
Serotonin 1f (5-HT1f) Receptor (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
1035 |
0.52 |
Binding ≤ 10μM
|
5HT2A-2-E |
Serotonin 2a (5-HT2a) Receptor (cluster #2 Of 3), Eukaryotic |
Eukaryotes |
8430 |
0.44 |
Binding ≤ 10μM
|
5HT2B-3-E |
Serotonin 2b (5-HT2b) Receptor (cluster #3 Of 4), Eukaryotic |
Eukaryotes |
8430 |
0.44 |
Binding ≤ 10μM
|
5HT2C-3-E |
Serotonin 2c (5-HT2c) Receptor (cluster #3 Of 3), Eukaryotic |
Eukaryotes |
8430 |
0.44 |
Binding ≤ 10μM
|
Physical Representations
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)
|
1.38 |
2.23 |
-41.62 |
2 |
4 |
1 |
38 |
223.296 |
3 |
↓
|
|