|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
Q864F1-1-E |
Phosphodiesterase 5 (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
4000 |
0.33 |
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)
|
1.98 |
0.5 |
-10.82 |
1 |
7 |
0 |
79 |
315.329 |
6 |
↓
|
|
|
Analogs
-
41470584
-
Draw
Identity
99%
90%
80%
70%
Vendors
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
Q864F1-1-E |
Phosphodiesterase 5 (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
2000 |
0.33 |
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)
|
2.72 |
7.88 |
-9.99 |
1 |
6 |
0 |
66 |
325.368 |
6 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
Q864F1-1-E |
Phosphodiesterase 5 (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
9600 |
0.41 |
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)
|
0.95 |
-0.86 |
-11.37 |
2 |
6 |
0 |
80 |
235.243 |
3 |
↓
|
Lo
Low (pH 4.5-6)
|
0.95 |
-6.51 |
-35.53 |
3 |
6 |
1 |
81 |
236.251 |
3 |
↓
|
Lo
Low (pH 4.5-6)
|
0.95 |
-0.66 |
-31.82 |
3 |
6 |
1 |
81 |
236.251 |
3 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
And 38 More
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
CNCG-1-E |
Phosphodiesterase 6H (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
50 |
0.31 |
Binding ≤ 10μM
|
CNRG-1-E |
Phosphodiesterase 6G (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
50 |
0.31 |
Binding ≤ 10μM
|
E1BN64-1-E |
Phosphodiesterase 3B (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
9200 |
0.21 |
Binding ≤ 10μM
|
KCNH2-1-E |
HERG (cluster #1 Of 5), Eukaryotic |
Eukaryotes |
5480 |
0.22 |
Binding ≤ 10μM
|
O77823-1-E |
Phosphodiesterase 4A (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
4600 |
0.23 |
Binding ≤ 10μM
|
PDE10-1-E |
Phosphodiesterase 10A (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
3100 |
0.23 |
Binding ≤ 10μM
|
PDE11-1-E |
Phosphodiesterase 11A (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
3000 |
0.23 |
Binding ≤ 10μM
|
PDE1A-1-E |
Phosphodiesterase 1A (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
400 |
0.27 |
Binding ≤ 10μM
|
PDE1B-1-E |
Phosphodiesterase 1B (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
300 |
0.28 |
Binding ≤ 10μM
|
PDE1C-1-E |
Phosphodiesterase 1C (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
300 |
0.28 |
Binding ≤ 10μM
|
PDE3A-1-E |
Phosphodiesterase 3A (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
7000 |
0.22 |
Binding ≤ 10μM
|
PDE3B-1-E |
Phosphodiesterase 3B (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
7000 |
0.22 |
Binding ≤ 10μM
|
PDE4A-3-E |
Phosphodiesterase 4A (cluster #3 Of 3), Eukaryotic |
Eukaryotes |
4600 |
0.23 |
Binding ≤ 10μM
|
PDE4B-1-E |
Phosphodiesterase 4B (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
9600 |
0.21 |
Binding ≤ 10μM
|
PDE4C-1-E |
Phosphodiesterase 4C (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
9600 |
0.21 |
Binding ≤ 10μM
|
PDE4D-1-E |
Phosphodiesterase 4D (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
9600 |
0.21 |
Binding ≤ 10μM
|
PDE5A-1-E |
Phosphodiesterase 5A (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
6 |
0.35 |
Binding ≤ 10μM
|
PDE6A-1-E |
Rod CGMP-specific 3',5'-cyclic Phosphodiesterase Subunit Alpha (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
50 |
0.31 |
Binding ≤ 10μM
|
PDE6B-1-E |
Phosphodiesterase 6B (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
50 |
0.31 |
Binding ≤ 10μM
|
PDE6C-1-E |
Phosphodiesterase 6C (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
50 |
0.31 |
Binding ≤ 10μM
|
PDE6D-1-E |
Phosphodiesterase 6D (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
74 |
0.30 |
Binding ≤ 10μM
|
PDE9A-1-E |
Phosphodiesterase 9A (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
3400 |
0.23 |
Binding ≤ 10μM
|
Q864F1-1-E |
Phosphodiesterase 5 (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
11 |
0.34 |
Binding ≤ 10μM
|
Q9EPR9-1-E |
Phosphodiesterase 1A (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
300 |
0.28 |
Binding ≤ 10μM
|
PDE5A-1-E |
Phosphodiesterase 5A (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
9 |
0.34 |
Functional ≤ 10μM
|
Q864F1-1-E |
Phosphodiesterase 5 (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
19 |
0.33 |
Functional ≤ 10μM
|
Z50590-1-O |
Sus Scrofa (cluster #1 Of 1), Other |
Other |
38 |
0.31 |
Functional ≤ 10μM
|
Z50592-1-O |
Oryctolagus Cuniculus (cluster #1 Of 8), Other |
Other |
8 |
0.34 |
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)
|
2.51 |
4.42 |
-15.04 |
1 |
10 |
0 |
113 |
474.587 |
7 |
↓
|
Mid
Mid (pH 6-8)
|
2.51 |
4.17 |
-20.18 |
1 |
10 |
0 |
113 |
474.587 |
7 |
↓
|
Mid
Mid (pH 6-8)
|
2.97 |
2.87 |
-54.77 |
0 |
10 |
-1 |
117 |
473.579 |
7 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
Q864F1-1-E |
Phosphodiesterase 5 (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
1470 |
0.31 |
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)
|
3.00 |
8.69 |
-13.46 |
1 |
10 |
0 |
121 |
366.374 |
11 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
And 39 More
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
E1BN64-1-E |
Phosphodiesterase 3B (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
1000 |
0.53 |
Binding ≤ 10μM
|
O77823-1-E |
Phosphodiesterase 4A (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
6000 |
0.46 |
Binding ≤ 10μM
|
PDE1A-1-E |
Phosphodiesterase 1A (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
5500 |
0.46 |
Binding ≤ 10μM
|
PDE3A-2-E |
Phosphodiesterase 3A (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
930 |
0.53 |
Binding ≤ 10μM |
PDE3B-2-E |
Phosphodiesterase 3B (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
930 |
0.53 |
Binding ≤ 10μM |
PDE4A-3-E |
Phosphodiesterase 4A (cluster #3 Of 3), Eukaryotic |
Eukaryotes |
6000 |
0.46 |
Binding ≤ 10μM
|
PDE4B-2-E |
Phosphodiesterase 4B (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
6000 |
0.46 |
Binding ≤ 10μM
|
PDE4C-2-E |
Phosphodiesterase 4C (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
6000 |
0.46 |
Binding ≤ 10μM
|
PDE4D-2-E |
Phosphodiesterase 4D (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
6000 |
0.46 |
Binding ≤ 10μM
|
PDE5A-2-E |
Phosphodiesterase 5A (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
5000 |
0.46 |
Binding ≤ 10μM
|
Q864F1-1-E |
Phosphodiesterase 5 (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
740 |
0.54 |
Binding ≤ 10μM
|
Q9XSW7-1-E |
Phosphodiesterase 3A (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
843 |
0.53 |
Binding ≤ 10μM
|
PGH1-1-E |
Cyclooxygenase-1 (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
4700 |
0.47 |
Functional ≤ 10μM
|
Z102213-1-O |
Blood (cluster #1 Of 2), Other |
Other |
4700 |
0.47 |
Functional ≤ 10μM
|
Z102306-1-O |
Aorta (cluster #1 Of 6), Other |
Other |
122 |
0.60 |
Functional ≤ 10μM
|
Z50512-5-O |
Cavia Porcellus (cluster #5 Of 7), Other |
Other |
4700 |
0.47 |
Functional ≤ 10μM
|
Z50587-1-O |
Homo Sapiens (cluster #1 Of 9), Other |
Other |
9000 |
0.44 |
Functional ≤ 10μM
|
Z50588-6-O |
Canis Familiaris (cluster #6 Of 7), Other |
Other |
700 |
0.54 |
Functional ≤ 10μM
|
Z50589-1-O |
Felis Catus (cluster #1 Of 2), Other |
Other |
7700 |
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)
|
0.94 |
4.19 |
-16.01 |
1 |
4 |
0 |
70 |
211.224 |
1 |
↓
|
Hi
High (pH 8-9.5)
|
1.40 |
2.16 |
-43.19 |
0 |
4 |
-1 |
73 |
210.216 |
1 |
↓
|
|
|
Analogs
-
39289604
-
-
39289747
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 64 More
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
KCNH2-5-E |
HERG (cluster #5 Of 5), Eukaryotic |
Eukaryotes |
7244 |
0.29 |
Binding ≤ 10μM
|
O77823-1-E |
Phosphodiesterase 4A (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
1700 |
0.32 |
Binding ≤ 10μM
|
PDE10-1-E |
Phosphodiesterase 10A (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
76 |
0.40 |
Binding ≤ 10μM
|
PDE1A-1-E |
Phosphodiesterase 1A (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
9000 |
0.28 |
Binding ≤ 10μM
|
PDE1B-1-E |
Phosphodiesterase 1B (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
9000 |
0.28 |
Binding ≤ 10μM
|
PDE1C-1-E |
Phosphodiesterase 1C (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
9000 |
0.28 |
Binding ≤ 10μM
|
PDE2A-1-E |
Phosphodiesterase 2A (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
2300 |
0.32 |
Binding ≤ 10μM
|
PDE3A-2-E |
Phosphodiesterase 3A (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
917 |
0.34 |
Binding ≤ 10μM |
PDE3B-2-E |
Phosphodiesterase 3B (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
6600 |
0.29 |
Binding ≤ 10μM
|
PDE4A-1-E |
Phosphodiesterase 4A (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
0 |
0.00 |
Binding ≤ 10μM
|
PDE4B-1-E |
Phosphodiesterase 4B (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
6600 |
0.29 |
Binding ≤ 10μM
|
PDE4C-1-E |
Phosphodiesterase 4C (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
6600 |
0.29 |
Binding ≤ 10μM
|
PDE4D-1-E |
Phosphodiesterase 4D (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
6600 |
0.29 |
Binding ≤ 10μM
|
Q864F1-1-E |
Phosphodiesterase 5 (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
8800 |
0.28 |
Binding ≤ 10μM
|
Q9XSW7-1-E |
Phosphodiesterase 3A (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
620 |
0.35 |
Binding ≤ 10μM
|
PDE1B-1-E |
Phosphodiesterase 1B (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
550 |
0.35 |
Functional ≤ 10μM
|
PDE3A-1-E |
Phosphodiesterase 3A (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
550 |
0.35 |
Functional ≤ 10μM
|
PDE3B-1-E |
Phosphodiesterase 3B (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
550 |
0.35 |
Functional ≤ 10μM
|
Z102333-1-O |
Ileum (cluster #1 Of 1), Other |
Other |
1550 |
0.33 |
Functional ≤ 10μM
|
Z102380-2-O |
Ileum (cluster #2 Of 3), Other |
Other |
4230 |
0.30 |
Functional ≤ 10μM
|
Z50425-3-O |
Plasmodium Falciparum (cluster #3 Of 22), Other |
Other |
7943 |
0.29 |
Functional ≤ 10μM
|
Z50597-1-O |
Rattus Norvegicus (cluster #1 Of 12), Other |
Other |
1550 |
0.33 |
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)
|
3.52 |
7.44 |
-12.61 |
0 |
5 |
0 |
50 |
339.391 |
6 |
↓
|
Lo
Low (pH 4.5-6)
|
3.52 |
7.64 |
-41.45 |
1 |
5 |
1 |
51 |
340.399 |
6 |
↓
|
|
|
Analogs
-
13741956
-
Draw
Identity
99%
90%
80%
70%
Vendors
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
CLTR1-1-E |
Cysteinyl Leukotriene Receptor 1 (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
940 |
0.23 |
Binding ≤ 10μM
|
CLTR1-1-E |
Cysteinyl Leukotriene Receptor 1 (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
2200 |
0.22 |
Binding ≤ 10μM
|
CLTR2-1-E |
Cysteinyl Leukotriene Receptor 2 (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
2007 |
0.22 |
Binding ≤ 10μM
|
CLTR2-1-E |
Cysteinyl Leukotriene Receptor 2 (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
4000 |
0.21 |
Binding ≤ 10μM
|
Q864F1-1-E |
Phosphodiesterase 5 (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
1580 |
0.23 |
Binding ≤ 10μM
|
THAS-2-E |
Thromboxane-A Synthase (cluster #2 Of 3), Eukaryotic |
Eukaryotes |
10000 |
0.19 |
Binding ≤ 10μM
|
CLTR1-1-E |
Cysteinyl Leukotriene Receptor 1 (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
100 |
0.27 |
Functional ≤ 10μM
|
CLTR1-1-E |
Cysteinyl Leukotriene Receptor 1 (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
510 |
0.24 |
Functional ≤ 10μM
|
CLTR2-1-E |
Cysteinyl Leukotriene Receptor 2 (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
100 |
0.27 |
Functional ≤ 10μM
|
CLTR2-1-E |
Cysteinyl Leukotriene Receptor 2 (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
510 |
0.24 |
Functional ≤ 10μM
|
Z50512-1-O |
Cavia Porcellus (cluster #1 Of 7), Other |
Other |
35 |
0.29 |
Functional ≤ 10μM
|
Z50512-1-O |
Cavia Porcellus (cluster #1 Of 7), Other |
Other |
940 |
0.23 |
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)
|
4.77 |
10.26 |
-59.01 |
2 |
9 |
-1 |
146 |
497.52 |
12 |
↓
|
Hi
High (pH 8-9.5)
|
4.77 |
11.27 |
-106.46 |
1 |
9 |
-2 |
149 |
496.512 |
12 |
↓
|
|
|
Analogs
-
13741955
-
Draw
Identity
99%
90%
80%
70%
Vendors
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
CLTR1-1-E |
Cysteinyl Leukotriene Receptor 1 (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
940 |
0.23 |
Binding ≤ 10μM
|
CLTR1-1-E |
Cysteinyl Leukotriene Receptor 1 (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
2200 |
0.22 |
Binding ≤ 10μM
|
CLTR2-1-E |
Cysteinyl Leukotriene Receptor 2 (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
2007 |
0.22 |
Binding ≤ 10μM
|
CLTR2-1-E |
Cysteinyl Leukotriene Receptor 2 (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
4000 |
0.21 |
Binding ≤ 10μM
|
Q864F1-1-E |
Phosphodiesterase 5 (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
1580 |
0.23 |
Binding ≤ 10μM
|
THAS-2-E |
Thromboxane-A Synthase (cluster #2 Of 3), Eukaryotic |
Eukaryotes |
10000 |
0.19 |
Binding ≤ 10μM
|
CLTR1-1-E |
Cysteinyl Leukotriene Receptor 1 (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
100 |
0.27 |
Functional ≤ 10μM
|
CLTR1-1-E |
Cysteinyl Leukotriene Receptor 1 (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
510 |
0.24 |
Functional ≤ 10μM
|
CLTR2-1-E |
Cysteinyl Leukotriene Receptor 2 (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
100 |
0.27 |
Functional ≤ 10μM
|
CLTR2-1-E |
Cysteinyl Leukotriene Receptor 2 (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
510 |
0.24 |
Functional ≤ 10μM
|
Z50512-1-O |
Cavia Porcellus (cluster #1 Of 7), Other |
Other |
35 |
0.29 |
Functional ≤ 10μM
|
Z50512-1-O |
Cavia Porcellus (cluster #1 Of 7), Other |
Other |
940 |
0.23 |
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)
|
4.77 |
10.26 |
-59.18 |
2 |
9 |
-1 |
146 |
497.52 |
12 |
↓
|
Hi
High (pH 8-9.5)
|
4.77 |
11.27 |
-106.59 |
1 |
9 |
-2 |
149 |
496.512 |
12 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
And 8 More
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
CNCG-1-E |
Phosphodiesterase 6H (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
400 |
0.45 |
Binding ≤ 10μM
|
CNRG-1-E |
Phosphodiesterase 6G (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
400 |
0.45 |
Binding ≤ 10μM
|
PDE1A-1-E |
Phosphodiesterase 1A (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
6000 |
0.37 |
Binding ≤ 10μM
|
PDE1B-1-E |
Phosphodiesterase 1B (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
9400 |
0.35 |
Binding ≤ 10μM |
PDE1C-1-E |
Phosphodiesterase 1C (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
9400 |
0.35 |
Binding ≤ 10μM |
PDE4D-2-E |
Phosphodiesterase 4D (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
8760 |
0.35 |
Binding ≤ 10μM
|
PDE5A-1-E |
Phosphodiesterase 5A (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
500 |
0.44 |
Binding ≤ 10μM
|
PDE6A-1-E |
Rod CGMP-specific 3',5'-cyclic Phosphodiesterase Subunit Alpha (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
400 |
0.45 |
Binding ≤ 10μM
|
PDE6B-1-E |
Phosphodiesterase 6B (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
400 |
0.45 |
Binding ≤ 10μM
|
PDE6C-1-E |
Phosphodiesterase 6C (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
400 |
0.45 |
Binding ≤ 10μM
|
PDE6D-1-E |
Phosphodiesterase 6D (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
400 |
0.45 |
Binding ≤ 10μM
|
Q864F1-1-E |
Phosphodiesterase 5 (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
900 |
0.42 |
Binding ≤ 10μM
|
Q9EPR9-1-E |
Phosphodiesterase 1A (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
9400 |
0.35 |
Binding ≤ 10μM |
PDE5A-1-E |
Phosphodiesterase 5A (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
9000 |
0.35 |
Functional ≤ 10μM
|
Z50590-1-O |
Sus Scrofa (cluster #1 Of 1), Other |
Other |
4750 |
0.37 |
Binding ≤ 10μM
|
Z50597-1-O |
Rattus Norvegicus (cluster #1 Of 12), Other |
Other |
9000 |
0.35 |
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)
|
2.59 |
2.82 |
-126.49 |
0 |
7 |
-2 |
98 |
269.264 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
2.59 |
2.52 |
-46.12 |
1 |
7 |
-1 |
100 |
270.272 |
4 |
↓
|
Mid
Mid (pH 6-8)
|
2.59 |
2.48 |
-50.96 |
1 |
7 |
-1 |
100 |
270.272 |
4 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
Q864F1-1-E |
Phosphodiesterase 5 (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
1100 |
0.38 |
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)
|
3.46 |
-2.02 |
-9.56 |
1 |
5 |
0 |
56 |
313.744 |
3 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
Q864F1-1-E |
Phosphodiesterase 5 (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
5500 |
0.32 |
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)
|
1.74 |
-2.75 |
-12.56 |
2 |
7 |
0 |
85 |
321.377 |
9 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
And 1 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)
|
6.18 |
11.6 |
-11.15 |
1 |
3 |
0 |
38 |
331.806 |
3 |
↓
|
|
|
Analogs
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)
|
1.54 |
8.02 |
-13.12 |
3 |
7 |
0 |
99 |
275.312 |
4 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
O77823-1-E |
Phosphodiesterase 4A (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
1700 |
0.26 |
Binding ≤ 10μM
|
Q864F1-1-E |
Phosphodiesterase 5 (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
2500 |
0.25 |
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)
|
5.28 |
12.13 |
-10.82 |
1 |
5 |
0 |
65 |
415.489 |
7 |
↓
|
|
|
Analogs
-
2000919
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 39 More
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
O77823-1-E |
Phosphodiesterase 4A (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
740 |
0.43 |
Binding ≤ 10μM
|
PDE1A-1-E |
Phosphodiesterase 1A (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
800 |
0.43 |
Binding ≤ 10μM
|
PDE4A-1-E |
Phosphodiesterase 4A (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
740 |
0.43 |
Binding ≤ 10μM
|
PDE4A-1-E |
Phosphodiesterase 4A (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
4000 |
0.38 |
Binding ≤ 10μM
|
PDE4B-1-E |
Phosphodiesterase 4B (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
40 |
0.52 |
Binding ≤ 10μM
|
PDE4B-1-E |
Phosphodiesterase 4B (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
930 |
0.42 |
Binding ≤ 10μM
|
PDE4C-1-E |
Phosphodiesterase 4C (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
4 |
0.59 |
Binding ≤ 10μM
|
PDE4C-1-E |
Phosphodiesterase 4C (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
3690 |
0.38 |
Binding ≤ 10μM
|
PDE4D-1-E |
Phosphodiesterase 4D (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
622 |
0.43 |
Binding ≤ 10μM
|
PDE4D-1-E |
Phosphodiesterase 4D (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
930 |
0.42 |
Binding ≤ 10μM
|
Q864F1-1-E |
Phosphodiesterase 5 (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
720 |
0.43 |
Binding ≤ 10μM
|
Q8VBU5-1-E |
Phosphodiesterase 4B (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
4 |
0.59 |
Binding ≤ 10μM
|
PDE4B-1-E |
Phosphodiesterase 4B (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
625 |
0.43 |
Functional ≤ 10μM
|
PDE4D-1-E |
Phosphodiesterase 4D (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
6500 |
0.36 |
Functional ≤ 10μM
|
Z100081-1-O |
PBMC (Peripheral Blood Mononuclear Cells) (cluster #1 Of 1), Other |
Other |
150 |
0.48 |
Binding ≤ 10μM
|
Z50597-1-O |
Rattus Norvegicus (cluster #1 Of 5), Other |
Other |
7 |
0.57 |
Binding ≤ 10μM |
Z100081-2-O |
PBMC (Peripheral Blood Mononuclear Cells) (cluster #2 Of 4), Other |
Other |
880 |
0.42 |
Functional ≤ 10μM
|
Z100489-1-O |
Eosinophils (Eosinophils) (cluster #1 Of 1), Other |
Other |
6500 |
0.36 |
Functional ≤ 10μM
|
Z50512-1-O |
Cavia Porcellus (cluster #1 Of 7), Other |
Other |
340 |
0.45 |
Functional ≤ 10μM
|
Z50587-4-O |
Homo Sapiens (cluster #4 Of 9), Other |
Other |
660 |
0.43 |
Functional ≤ 10μM |
Z50592-3-O |
Oryctolagus Cuniculus (cluster #3 Of 8), Other |
Other |
4 |
0.59 |
Functional ≤ 10μM
|
Z50597-1-O |
Rattus Norvegicus (cluster #1 Of 12), Other |
Other |
40 |
0.52 |
Functional ≤ 10μM
|
Z80566-1-O |
U-937 (Histiocytic Lymphoma Cells) (cluster #1 Of 2), Other |
Other |
1230 |
0.41 |
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)
|
2.67 |
5.43 |
-11.26 |
1 |
4 |
0 |
48 |
275.348 |
4 |
↓
|
|
|
Analogs
-
4982
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 35 More
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
O77823-1-E |
Phosphodiesterase 4A (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
740 |
0.43 |
Binding ≤ 10μM
|
PDE1A-1-E |
Phosphodiesterase 1A (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
800 |
0.43 |
Binding ≤ 10μM
|
PDE4A-1-E |
Phosphodiesterase 4A (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
740 |
0.43 |
Binding ≤ 10μM
|
PDE4A-1-E |
Phosphodiesterase 4A (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
1400 |
0.41 |
Binding ≤ 10μM
|
PDE4B-1-E |
Phosphodiesterase 4B (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
930 |
0.42 |
Binding ≤ 10μM
|
PDE4B-1-E |
Phosphodiesterase 4B (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
1400 |
0.41 |
Binding ≤ 10μM
|
PDE4C-1-E |
Phosphodiesterase 4C (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
4 |
0.59 |
Binding ≤ 10μM
|
PDE4C-1-E |
Phosphodiesterase 4C (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
1400 |
0.41 |
Binding ≤ 10μM
|
PDE4D-1-E |
Phosphodiesterase 4D (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
930 |
0.42 |
Binding ≤ 10μM
|
PDE4D-1-E |
Phosphodiesterase 4D (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
1400 |
0.41 |
Binding ≤ 10μM
|
Q864F1-1-E |
Phosphodiesterase 5 (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
720 |
0.43 |
Binding ≤ 10μM
|
Q8VBU5-1-E |
Phosphodiesterase 4B (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
4 |
0.59 |
Binding ≤ 10μM
|
PDE4B-1-E |
Phosphodiesterase 4B (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
625 |
0.43 |
Functional ≤ 10μM
|
PDE4D-1-E |
Phosphodiesterase 4D (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
6500 |
0.36 |
Functional ≤ 10μM
|
Z100081-1-O |
PBMC (Peripheral Blood Mononuclear Cells) (cluster #1 Of 1), Other |
Other |
150 |
0.48 |
Binding ≤ 10μM
|
Z50597-1-O |
Rattus Norvegicus (cluster #1 Of 5), Other |
Other |
7 |
0.57 |
Binding ≤ 10μM |
Z100081-2-O |
PBMC (Peripheral Blood Mononuclear Cells) (cluster #2 Of 4), Other |
Other |
880 |
0.42 |
Functional ≤ 10μM
|
Z100489-1-O |
Eosinophils (Eosinophils) (cluster #1 Of 1), Other |
Other |
6500 |
0.36 |
Functional ≤ 10μM
|
Z50512-1-O |
Cavia Porcellus (cluster #1 Of 7), Other |
Other |
340 |
0.45 |
Functional ≤ 10μM
|
Z50587-4-O |
Homo Sapiens (cluster #4 Of 9), Other |
Other |
660 |
0.43 |
Functional ≤ 10μM |
Z50592-3-O |
Oryctolagus Cuniculus (cluster #3 Of 8), Other |
Other |
4 |
0.59 |
Functional ≤ 10μM
|
Z50597-1-O |
Rattus Norvegicus (cluster #1 Of 12), Other |
Other |
40 |
0.52 |
Functional ≤ 10μM
|
Z80566-1-O |
U-937 (Histiocytic Lymphoma Cells) (cluster #1 Of 2), Other |
Other |
1230 |
0.41 |
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)
|
2.67 |
5.44 |
-11.23 |
1 |
4 |
0 |
48 |
275.348 |
4 |
↓
|
Ref
Reference (pH 7)
|
2.85 |
2.11 |
-7.58 |
1 |
4 |
0 |
51 |
275.348 |
4 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
Q864F1-1-E |
Phosphodiesterase 5 (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
230 |
0.40 |
Binding ≤ 10μM
|
Z50590-1-O |
Sus Scrofa (cluster #1 Of 1), Other |
Other |
1190 |
0.36 |
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)
|
2.84 |
-1.85 |
-10.18 |
1 |
6 |
0 |
65 |
309.325 |
4 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
Q864F1-1-E |
Phosphodiesterase 5 (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
19 |
0.49 |
Binding ≤ 10μM
|
Z50590-1-O |
Sus Scrofa (cluster #1 Of 1), Other |
Other |
190 |
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)
|
3.46 |
7.7 |
-8.67 |
1 |
5 |
0 |
56 |
313.744 |
3 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
And 2 More
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
Q864F1-1-E |
Phosphodiesterase 5 (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
4200 |
0.36 |
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)
|
2.81 |
-1.87 |
-10.27 |
1 |
5 |
0 |
56 |
279.299 |
3 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
And 1 More
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
Q864F1-1-E |
Phosphodiesterase 5 (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
840 |
0.34 |
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)
|
2.43 |
6.43 |
-11.86 |
1 |
7 |
0 |
75 |
339.351 |
5 |
↓
|
Lo
Low (pH 4.5-6)
|
2.43 |
6.9 |
-37.61 |
2 |
7 |
1 |
76 |
340.359 |
5 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
Q864F1-1-E |
Phosphodiesterase 5 (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
100 |
0.45 |
Binding ≤ 10μM
|
Z50590-1-O |
Sus Scrofa (cluster #1 Of 1), Other |
Other |
1560 |
0.37 |
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)
|
3.23 |
7.85 |
-10.11 |
1 |
5 |
0 |
56 |
293.326 |
3 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
And 50 More
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
CNCG-1-E |
Phosphodiesterase 6H (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
125 |
0.27 |
Binding ≤ 10μM
|
CNRG-1-E |
Phosphodiesterase 6G (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
125 |
0.27 |
Binding ≤ 10μM
|
O77823-1-E |
Phosphodiesterase 4A (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
6400 |
0.20 |
Binding ≤ 10μM
|
PDE10-1-E |
Phosphodiesterase 10A (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
1000 |
0.23 |
Binding ≤ 10μM
|
PDE11-1-E |
Phosphodiesterase 11A (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
400 |
0.25 |
Binding ≤ 10μM
|
PDE2A-1-E |
Phosphodiesterase 2A (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
4000 |
0.21 |
Binding ≤ 10μM
|
PDE4A-3-E |
Phosphodiesterase 4A (cluster #3 Of 3), Eukaryotic |
Eukaryotes |
500 |
0.25 |
Binding ≤ 10μM
|
PDE4B-2-E |
Phosphodiesterase 4B (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
500 |
0.25 |
Binding ≤ 10μM
|
PDE4C-2-E |
Phosphodiesterase 4C (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
500 |
0.25 |
Binding ≤ 10μM
|
PDE4D-2-E |
Phosphodiesterase 4D (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
500 |
0.25 |
Binding ≤ 10μM
|
PDE6A-1-E |
Rod CGMP-specific 3',5'-cyclic Phosphodiesterase Subunit Alpha (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
125 |
0.27 |
Binding ≤ 10μM
|
PDE6B-1-E |
Phosphodiesterase 6B (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
125 |
0.27 |
Binding ≤ 10μM
|
PDE6C-1-E |
Phosphodiesterase 6C (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
125 |
0.27 |
Binding ≤ 10μM
|
PDE6D-1-E |
Phosphodiesterase 6D (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
125 |
0.27 |
Binding ≤ 10μM
|
PDE7A-1-E |
Phosphodiesterase 7A (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
600 |
0.24 |
Binding ≤ 10μM
|
PDE7B-1-E |
Phosphodiesterase 7B (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
600 |
0.24 |
Binding ≤ 10μM
|
PDE8A-1-E |
Phosphodiesterase 8A (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
9000 |
0.20 |
Binding ≤ 10μM
|
PDE8B-1-E |
Phosphodiesterase 8B (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
9000 |
0.20 |
Binding ≤ 10μM
|
Q864F1-1-E |
Phosphodiesterase 5 (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
574 |
0.24 |
Binding ≤ 10μM
|
S29A1-1-E |
Equilibrative Nucleoside Transporter 1 (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
9 |
0.31 |
Binding ≤ 10μM
|
Z50425-3-O |
Plasmodium Falciparum (cluster #3 Of 22), Other |
Other |
3162 |
0.21 |
Functional ≤ 10μM
|
Z80193-2-O |
L1210 (Lymphocytic Leukemia Cells) (cluster #2 Of 12), Other |
Other |
340 |
0.25 |
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)
|
1.59 |
5.47 |
-11.01 |
4 |
12 |
0 |
145 |
504.636 |
12 |
↓
|
|