|
Analogs
-
19796087
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 19 More
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
AA3R-1-E |
Adenosine Receptor A3 (cluster #1 Of 6), Eukaryotic |
Eukaryotes |
3250 |
0.22 |
Binding ≤ 10μM
|
ADA2A-1-E |
Alpha-2a Adrenergic Receptor (cluster #1 Of 4), Eukaryotic |
Eukaryotes |
1400 |
0.23 |
Binding ≤ 10μM
|
ADA2B-1-E |
Alpha-2b Adrenergic Receptor (cluster #1 Of 4), Eukaryotic |
Eukaryotes |
1400 |
0.23 |
Binding ≤ 10μM
|
ADA2C-1-E |
Alpha-2c Adrenergic Receptor (cluster #1 Of 4), Eukaryotic |
Eukaryotes |
1400 |
0.23 |
Binding ≤ 10μM
|
CAC1C-1-E |
Voltage-gated L-type Calcium Channel Alpha-1C Subunit (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
7 |
0.33 |
Binding ≤ 10μM
|
CAC1D-1-E |
Voltage-gated L-type Calcium Channel Alpha-1D Subunit (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
7 |
0.33 |
Binding ≤ 10μM
|
CTRA-1-E |
Alpha-chymotrypsin (cluster #1 Of 4), Eukaryotic |
Eukaryotes |
3 |
0.34 |
Binding ≤ 10μM
|
MDHM-1-E |
Malate Dehydrogenase, Mitochondrial (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
49 |
0.29 |
Binding ≤ 10μM
|
S29A1-1-E |
Equilibrative Nucleoside Transporter 1 (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
5360 |
0.21 |
Binding ≤ 10μM
|
CAC1C-1-E |
Voltage-gated L-type Calcium Channel Alpha-1C Subunit (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
3 |
0.34 |
Functional ≤ 10μM
|
CAC1D-1-E |
Voltage-gated L-type Calcium Channel Alpha-1D Subunit (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
3 |
0.34 |
Functional ≤ 10μM
|
MDR1-1-E |
P-glycoprotein 1 (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
950 |
0.24 |
Functional ≤ 10μM
|
MDR3-1-E |
P-glycoprotein 3 (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
2500 |
0.22 |
Functional ≤ 10μM
|
TRPA1-4-E |
Transient Receptor Potential Cation Channel Subfamily A Member 1 (cluster #4 Of 6), Eukaryotic |
Eukaryotes |
500 |
0.25 |
Functional ≤ 10μM |
CP2C9-1-E |
Cytochrome P450 2C9 (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
280 |
0.26 |
ADME/T ≤ 10μM
|
CP3A4-2-E |
Cytochrome P450 3A4 (cluster #2 Of 4), Eukaryotic |
Eukaryotes |
420 |
0.26 |
ADME/T ≤ 10μM
|
Z104304-1-O |
Adrenergic Receptor Alpha-1 (cluster #1 Of 3), Other |
Other |
3600 |
0.22 |
Binding ≤ 10μM
|
Z50597-1-O |
Rattus Norvegicus (cluster #1 Of 5), Other |
Other |
0 |
0.00 |
Binding ≤ 10μM
|
Z50425-3-O |
Plasmodium Falciparum (cluster #3 Of 22), Other |
Other |
1995 |
0.23 |
Functional ≤ 10μM
|
Z50590-1-O |
Sus Scrofa (cluster #1 Of 1), Other |
Other |
0 |
0.00 |
Functional ≤ 10μM
|
Z50597-1-O |
Rattus Norvegicus (cluster #1 Of 12), Other |
Other |
1400 |
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)
|
4.25 |
14.38 |
-38.25 |
1 |
9 |
0 |
121 |
479.533 |
10 |
↓
|
Hi
High (pH 8-9.5)
|
5.00 |
13.02 |
-15.82 |
1 |
9 |
0 |
114 |
479.533 |
11 |
↓
|
Mid
Mid (pH 6-8)
|
4.25 |
11.97 |
-39.15 |
0 |
9 |
-1 |
120 |
478.525 |
10 |
↓
|
|
|
Analogs
-
601265
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 26 More
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
AA3R-1-E |
Adenosine Receptor A3 (cluster #1 Of 6), Eukaryotic |
Eukaryotes |
3250 |
0.22 |
Binding ≤ 10μM
|
ADA2A-1-E |
Alpha-2a Adrenergic Receptor (cluster #1 Of 4), Eukaryotic |
Eukaryotes |
1400 |
0.23 |
Binding ≤ 10μM
|
ADA2B-1-E |
Alpha-2b Adrenergic Receptor (cluster #1 Of 4), Eukaryotic |
Eukaryotes |
1400 |
0.23 |
Binding ≤ 10μM
|
ADA2C-1-E |
Alpha-2c Adrenergic Receptor (cluster #1 Of 4), Eukaryotic |
Eukaryotes |
1400 |
0.23 |
Binding ≤ 10μM
|
CAC1C-1-E |
Voltage-gated L-type Calcium Channel Alpha-1C Subunit (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
7 |
0.33 |
Binding ≤ 10μM
|
CAC1D-1-E |
Voltage-gated L-type Calcium Channel Alpha-1D Subunit (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
7 |
0.33 |
Binding ≤ 10μM
|
CTRA-1-E |
Alpha-chymotrypsin (cluster #1 Of 4), Eukaryotic |
Eukaryotes |
3 |
0.34 |
Binding ≤ 10μM
|
MDHM-1-E |
Malate Dehydrogenase, Mitochondrial (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
49 |
0.29 |
Binding ≤ 10μM
|
S29A1-1-E |
Equilibrative Nucleoside Transporter 1 (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
5360 |
0.21 |
Binding ≤ 10μM
|
CAC1C-1-E |
Voltage-gated L-type Calcium Channel Alpha-1C Subunit (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
3 |
0.34 |
Functional ≤ 10μM
|
CAC1D-1-E |
Voltage-gated L-type Calcium Channel Alpha-1D Subunit (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
3 |
0.34 |
Functional ≤ 10μM
|
MDR1-1-E |
P-glycoprotein 1 (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
950 |
0.24 |
Functional ≤ 10μM
|
MDR3-1-E |
P-glycoprotein 3 (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
2500 |
0.22 |
Functional ≤ 10μM
|
TRPA1-4-E |
Transient Receptor Potential Cation Channel Subfamily A Member 1 (cluster #4 Of 6), Eukaryotic |
Eukaryotes |
500 |
0.25 |
Functional ≤ 10μM |
CP2C9-1-E |
Cytochrome P450 2C9 (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
280 |
0.26 |
ADME/T ≤ 10μM
|
CP3A4-2-E |
Cytochrome P450 3A4 (cluster #2 Of 4), Eukaryotic |
Eukaryotes |
420 |
0.26 |
ADME/T ≤ 10μM
|
Z104304-1-O |
Adrenergic Receptor Alpha-1 (cluster #1 Of 3), Other |
Other |
3600 |
0.22 |
Binding ≤ 10μM
|
Z50597-1-O |
Rattus Norvegicus (cluster #1 Of 5), Other |
Other |
0 |
0.00 |
Binding ≤ 10μM
|
Z50425-3-O |
Plasmodium Falciparum (cluster #3 Of 22), Other |
Other |
1995 |
0.23 |
Functional ≤ 10μM
|
Z50590-1-O |
Sus Scrofa (cluster #1 Of 1), Other |
Other |
0 |
0.00 |
Functional ≤ 10μM
|
Z50597-1-O |
Rattus Norvegicus (cluster #1 Of 12), Other |
Other |
1400 |
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)
|
5.00 |
15.39 |
-55.91 |
2 |
9 |
1 |
115 |
480.541 |
11 |
↓
|
Hi
High (pH 8-9.5)
|
5.00 |
13.13 |
-16.47 |
1 |
9 |
0 |
114 |
479.533 |
11 |
↓
|
Mid
Mid (pH 6-8)
|
4.25 |
11.42 |
-38.29 |
0 |
9 |
-1 |
120 |
478.525 |
10 |
↓
|
|
|
Analogs
-
1318430
-
-
4089257
-
-
4257486
-
-
4257487
-
-
4257488
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 9 More
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
AA1R-2-E |
Adenosine A1 Receptor (cluster #2 Of 4), Eukaryotic |
Eukaryotes |
4450 |
0.29 |
Binding ≤ 10μM
|
AA2AR-1-E |
Adenosine A2a Receptor (cluster #1 Of 4), Eukaryotic |
Eukaryotes |
733 |
0.33 |
Binding ≤ 10μM
|
AA2BR-1-E |
Adenosine A2b Receptor (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
350 |
0.35 |
Binding ≤ 10μM
|
AA3R-2-E |
Adenosine Receptor A3 (cluster #2 Of 6), Eukaryotic |
Eukaryotes |
550 |
0.34 |
Binding ≤ 10μM
|
ADCY2-1-E |
Adenylate Cyclase Type II (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
2200 |
0.30 |
Binding ≤ 10μM
|
ADCY3-1-E |
Adenylate Cyclase Type III (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
2200 |
0.30 |
Binding ≤ 10μM
|
ADCY4-1-E |
Adenylate Cyclase Type IV (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
2200 |
0.30 |
Binding ≤ 10μM
|
ADCY5-1-E |
Adenylate Cyclase Type V (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
2200 |
0.30 |
Binding ≤ 10μM
|
ADCY6-1-E |
Adenylate Cyclase Type VI (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
2200 |
0.30 |
Binding ≤ 10μM
|
ADCY8-2-E |
Adenylate Cyclase Type VIII (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
2200 |
0.30 |
Binding ≤ 10μM
|
S29A1-1-E |
Equilibrative Nucleoside Transporter 1 (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
203 |
0.36 |
Binding ≤ 10μM
|
AA3R-1-E |
Adenosine A3 Receptor (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
384 |
0.35 |
Functional ≤ 10μM
|
Z50597-2-O |
Rattus Norvegicus (cluster #2 Of 5), Other |
Other |
203 |
0.36 |
Binding ≤ 10μM
|
Z80156-2-O |
HL-60 (Promyeloblast Leukemia Cells) (cluster #2 Of 12), Other |
Other |
940 |
0.32 |
Functional ≤ 10μM
|
Z80186-1-O |
K562 (Erythroleukemia Cells) (cluster #1 Of 11), Other |
Other |
5500 |
0.28 |
Functional ≤ 10μM
|
Z80874-1-O |
CEM (T-cell Leukemia) (cluster #1 Of 7), Other |
Other |
1400 |
0.32 |
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)
|
0.92 |
0.58 |
-15 |
4 |
9 |
0 |
126 |
357.37 |
5 |
↓
|
|
|
|
|
Analogs
-
9058686
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 6 More
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
AA3R-1-E |
Adenosine Receptor A3 (cluster #1 Of 6), Eukaryotic |
Eukaryotes |
0 |
0.00 |
Binding ≤ 10μM
|
S29A1-1-E |
Equilibrative Nucleoside Transporter 1 (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
1 |
0.43 |
Binding ≤ 10μM
|
S29A1-1-E |
Equilibrative Nucleoside Transporter 1 (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
8 |
0.39 |
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)
|
1.01 |
2.58 |
-19.14 |
3 |
11 |
0 |
159 |
419.419 |
6 |
↓
|
|
|
Analogs
-
1319816
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 3 More
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
AA1R-2-E |
Adenosine A1 Receptor (cluster #2 Of 4), Eukaryotic |
Eukaryotes |
22 |
0.45 |
Binding ≤ 10μM
|
AA2AR-1-E |
Adenosine A2a Receptor (cluster #1 Of 4), Eukaryotic |
Eukaryotes |
857 |
0.35 |
Binding ≤ 10μM
|
AA2BR-1-E |
Adenosine A2b Receptor (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
580 |
0.36 |
Binding ≤ 10μM
|
AA3R-2-E |
Adenosine Receptor A3 (cluster #2 Of 6), Eukaryotic |
Eukaryotes |
72 |
0.42 |
Binding ≤ 10μM
|
ADCY2-1-E |
Adenylate Cyclase Type II (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
19 |
0.45 |
Binding ≤ 10μM
|
ADCY3-1-E |
Adenylate Cyclase Type III (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
19 |
0.45 |
Binding ≤ 10μM
|
ADCY4-1-E |
Adenylate Cyclase Type IV (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
19 |
0.45 |
Binding ≤ 10μM
|
ADCY5-1-E |
Adenylate Cyclase Type V (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
19 |
0.45 |
Binding ≤ 10μM
|
ADCY6-1-E |
Adenylate Cyclase Type VI (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
19 |
0.45 |
Binding ≤ 10μM
|
ADCY8-2-E |
Adenylate Cyclase Type VIII (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
19 |
0.45 |
Binding ≤ 10μM
|
Q4VQ11-1-E |
A1 Adenosine Receptor (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
810 |
0.36 |
Binding ≤ 10μM
|
S29A1-1-E |
Equilibrative Nucleoside Transporter 1 (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
1100 |
0.35 |
Binding ≤ 10μM
|
AA1R-1-E |
Adenosine A1 Receptor (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
4 |
0.49 |
Functional ≤ 10μM
|
AA2AR-1-E |
Adenosine A2a Receptor (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
3200 |
0.32 |
Functional ≤ 10μM
|
AA2BR-1-E |
Adenosine A2b Receptor (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
43 |
0.43 |
Functional ≤ 10μM
|
AA3R-1-E |
Adenosine A3 Receptor (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
7980 |
0.30 |
Functional ≤ 10μM
|
ADCY2-1-E |
Adenylate Cyclase Type II (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
3200 |
0.32 |
Functional ≤ 10μM
|
Z50425-15-O |
Plasmodium Falciparum (cluster #15 Of 22), Other |
Other |
10000 |
0.29 |
Functional ≤ 10μM
|
Z50512-5-O |
Cavia Porcellus (cluster #5 Of 7), Other |
Other |
420 |
0.37 |
Functional ≤ 10μM |
Z50597-1-O |
Rattus Norvegicus (cluster #1 Of 12), Other |
Other |
12 |
0.46 |
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)
|
0.92 |
-0.24 |
-14.3 |
4 |
9 |
0 |
126 |
335.364 |
4 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
KCNH2-5-E |
HERG (cluster #5 Of 5), Eukaryotic |
Eukaryotes |
16 |
0.30 |
Binding ≤ 10μM
|
S29A1-1-E |
Equilibrative Nucleoside Transporter 1 (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
4954 |
0.21 |
Binding ≤ 10μM
|
SCN1A-1-E |
Sodium Channel Protein Type I Alpha Subunit (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
77 |
0.28 |
Binding ≤ 10μM
|
SCN2A-1-E |
Sodium Channel Protein Type II Alpha Subunit (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
77 |
0.28 |
Binding ≤ 10μM
|
SCN3A-1-E |
Sodium Channel Protein Type III Alpha Subunit (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
77 |
0.28 |
Binding ≤ 10μM
|
SCN8A-1-E |
Sodium Channel Protein Type VIII Alpha Subunit (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
77 |
0.28 |
Binding ≤ 10μM
|
SCN2A-1-E |
Sodium Channel Protein Type II Alpha Subunit (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
2400 |
0.22 |
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)
|
5.33 |
15.19 |
-49.33 |
2 |
4 |
1 |
37 |
492.634 |
9 |
↓
|
Hi
High (pH 8-9.5)
|
5.33 |
12.89 |
-12.84 |
1 |
4 |
0 |
36 |
491.626 |
9 |
↓
|
Hi
High (pH 8-9.5)
|
2.13 |
8.03 |
-14.25 |
1 |
4 |
0 |
45 |
231.299 |
2 |
↓
|
|
|
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 |
↓
|
|