|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
PE2R3-2-E |
Prostanoid EP3 Receptor (cluster #2 Of 3), Eukaryotic |
Eukaryotes |
56 |
0.33 |
Binding ≤ 10μM
|
PE2R4-1-E |
Prostanoid EP4 Receptor (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
2 |
0.39 |
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)
|
1.73 |
-2.2 |
-14.59 |
2 |
6 |
0 |
93 |
450.597 |
14 |
↓
|
|
|
Analogs
-
5820938
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 22 More
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
PE2R1-2-E |
Prostanoid EP1 Receptor (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
6 |
0.46 |
Binding ≤ 10μM
|
PE2R2-2-E |
Prostanoid EP2 Receptor (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
41 |
0.41 |
Binding ≤ 10μM
|
PE2R3-2-E |
Prostanoid EP3 Receptor (cluster #2 Of 3), Eukaryotic |
Eukaryotes |
5 |
0.46 |
Binding ≤ 10μM
|
PE2R4-2-E |
Prostanoid EP4 Receptor (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
3 |
0.48 |
Binding ≤ 10μM
|
PI2R-2-E |
Prostanoid IP Receptor (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
150 |
0.38 |
Binding ≤ 10μM
|
PE2R4-1-E |
Prostanoid EP4 Receptor (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
4 |
0.47 |
Functional ≤ 10μM
|
Z50587-5-O |
Homo Sapiens (cluster #5 Of 9), Other |
Other |
70 |
0.40 |
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)
|
3.36 |
7.89 |
-49.67 |
2 |
5 |
-1 |
98 |
353.479 |
13 |
↓
|
Lo
Low (pH 4.5-6)
|
3.36 |
5.91 |
-10.15 |
3 |
5 |
0 |
95 |
354.487 |
13 |
↓
|
|
|
Analogs
-
5820938
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 3 More
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)
|
3.36 |
-2.65 |
-51.46 |
2 |
5 |
-1 |
97 |
353.479 |
13 |
↓
|
|
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
PE2R2-2-E |
Prostanoid EP2 Receptor (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
3000 |
0.32 |
Binding ≤ 10μM
|
PE2R3-2-E |
Prostanoid EP3 Receptor (cluster #2 Of 3), Eukaryotic |
Eukaryotes |
2000 |
0.33 |
Binding ≤ 10μM
|
PE2R4-2-E |
Prostanoid EP4 Receptor (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
35 |
0.43 |
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)
|
3.70 |
8.77 |
-55.02 |
1 |
5 |
-1 |
81 |
340.484 |
14 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
PE2R2-2-E |
Prostanoid EP2 Receptor (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
3000 |
0.32 |
Binding ≤ 10μM
|
PE2R3-2-E |
Prostanoid EP3 Receptor (cluster #2 Of 3), Eukaryotic |
Eukaryotes |
2000 |
0.33 |
Binding ≤ 10μM
|
PE2R4-2-E |
Prostanoid EP4 Receptor (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
35 |
0.43 |
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)
|
3.70 |
8.72 |
-55.53 |
1 |
5 |
-1 |
81 |
340.484 |
14 |
↓
|
|
|
Analogs
-
39592808
-
Draw
Identity
99%
90%
80%
70%
Vendors
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)
|
3.70 |
8.8 |
-54.94 |
1 |
5 |
-1 |
81 |
340.484 |
14 |
↓
|
|
|
Analogs
-
39592808
-
Draw
Identity
99%
90%
80%
70%
Vendors
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)
|
3.70 |
8.87 |
-53.47 |
1 |
5 |
-1 |
81 |
340.484 |
14 |
↓
|
|
|
|
|
|
|
Analogs
-
4095842
-
-
8552290
-
-
8552291
-
-
8552292
-
-
8552293
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 12 More
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
PD2R-2-E |
Prostanoid DP Receptor (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
4500 |
0.30 |
Binding ≤ 10μM
|
PE2R1-2-E |
Prostanoid EP1 Receptor (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
380 |
0.36 |
Binding ≤ 10μM
|
PE2R3-2-E |
Prostanoid EP3 Receptor (cluster #2 Of 3), Eukaryotic |
Eukaryotes |
322 |
0.36 |
Binding ≤ 10μM
|
PE2R4-2-E |
Prostanoid EP4 Receptor (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
4200 |
0.30 |
Binding ≤ 10μM
|
PF2R-1-E |
Prostaglandin F2-alpha Receptor (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
7 |
0.46 |
Binding ≤ 10μM
|
PE2R1-2-E |
Prostanoid EP1 Receptor (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
600 |
0.35 |
Functional ≤ 10μM
|
PE2R3-2-E |
Prostanoid EP3 Receptor (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
2300 |
0.32 |
Functional ≤ 10μM
|
PF2R-1-E |
Prostaglandin F2-alpha Receptor (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
25 |
0.43 |
Functional ≤ 10μM
|
TA2R-1-E |
Thromboxane A2 Receptor (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
1400 |
0.33 |
Functional ≤ 10μM
|
Z50589-1-O |
Felis Catus (cluster #1 Of 2), Other |
Other |
7 |
0.46 |
Functional ≤ 10μM
|
Z80530-2-O |
Swiss-3T3 (Fibroblast Cells) (cluster #2 Of 2), Other |
Other |
25 |
0.43 |
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)
|
3.05 |
5.6 |
-49.94 |
3 |
5 |
-1 |
101 |
353.479 |
12 |
↓
|
Hi
High (pH 8-9.5)
|
-0.55 |
-2.55 |
-8.97 |
2 |
4 |
0 |
67 |
132.115 |
0 |
↓
|
Lo
Low (pH 4.5-6)
|
3.05 |
3.63 |
-9.76 |
4 |
5 |
0 |
98 |
354.487 |
12 |
↓
|
|