|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
And 3 More
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
A2AIR5-1-E |
Glutamate [NMDA] Receptor Subunit 3A (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
72 |
0.62 |
Binding ≤ 10μM
|
NMD3A-2-E |
Glutamate [NMDA] Receptor Subunit 3A (cluster #2 Of 6), Eukaryotic |
Eukaryotes |
600 |
0.54 |
Binding ≤ 10μM |
NMD3B-2-E |
Glutamate [NMDA] Receptor Subunit 3B (cluster #2 Of 6), Eukaryotic |
Eukaryotes |
72 |
0.62 |
Binding ≤ 10μM
|
NMDE1-4-E |
Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #4 Of 5), Eukaryotic |
Eukaryotes |
600 |
0.54 |
Binding ≤ 10μM |
NMDE2-4-E |
Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #4 Of 5), Eukaryotic |
Eukaryotes |
600 |
0.54 |
Binding ≤ 10μM |
NMDE3-3-E |
Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #3 Of 4), Eukaryotic |
Eukaryotes |
600 |
0.54 |
Binding ≤ 10μM |
NMDE4-2-E |
Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #2 Of 6), Eukaryotic |
Eukaryotes |
131 |
0.60 |
Binding ≤ 10μM
|
NMDZ1-4-E |
Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #4 Of 6), Eukaryotic |
Eukaryotes |
600 |
0.54 |
Binding ≤ 10μM |
Z104302-3-O |
Glutamate NMDA Receptor (cluster #3 Of 7), Other |
Other |
837 |
0.53 |
Binding ≤ 10μM
|
Z104302-1-O |
Glutamate NMDA Receptor (cluster #1 Of 3), Other |
Other |
80 |
0.62 |
Functional ≤ 10μM
|
Z50597-2-O |
Rattus Norvegicus (cluster #2 Of 12), Other |
Other |
800 |
0.53 |
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)
|
-3.22 |
-0.53 |
-63.96 |
3 |
7 |
-1 |
120 |
251.199 |
5 |
↓
|
Hi
High (pH 8-9.5)
|
-3.22 |
1.55 |
-134.72 |
2 |
7 |
-2 |
120 |
250.191 |
5 |
↓
|
Mid
Mid (pH 6-8)
|
-3.22 |
0.59 |
-145.65 |
2 |
7 |
-2 |
123 |
250.191 |
5 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
And 4 More
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
A2AIR5-1-E |
Glutamate [NMDA] Receptor Subunit 3A (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
72 |
0.62 |
Binding ≤ 10μM
|
NMD3A-2-E |
Glutamate [NMDA] Receptor Subunit 3A (cluster #2 Of 6), Eukaryotic |
Eukaryotes |
86 |
0.62 |
Binding ≤ 10μM |
NMD3A-2-E |
Glutamate [NMDA] Receptor Subunit 3A (cluster #2 Of 6), Eukaryotic |
Eukaryotes |
600 |
0.54 |
Binding ≤ 10μM |
NMD3B-2-E |
Glutamate [NMDA] Receptor Subunit 3B (cluster #2 Of 6), Eukaryotic |
Eukaryotes |
72 |
0.62 |
Binding ≤ 10μM
|
NMD3B-2-E |
Glutamate [NMDA] Receptor Subunit 3B (cluster #2 Of 6), Eukaryotic |
Eukaryotes |
86 |
0.62 |
Binding ≤ 10μM |
NMDE1-4-E |
Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #4 Of 5), Eukaryotic |
Eukaryotes |
86 |
0.62 |
Binding ≤ 10μM |
NMDE1-4-E |
Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #4 Of 5), Eukaryotic |
Eukaryotes |
600 |
0.54 |
Binding ≤ 10μM |
NMDE2-4-E |
Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #4 Of 5), Eukaryotic |
Eukaryotes |
86 |
0.62 |
Binding ≤ 10μM |
NMDE2-4-E |
Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #4 Of 5), Eukaryotic |
Eukaryotes |
600 |
0.54 |
Binding ≤ 10μM |
NMDE3-3-E |
Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #3 Of 4), Eukaryotic |
Eukaryotes |
86 |
0.62 |
Binding ≤ 10μM |
NMDE3-3-E |
Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #3 Of 4), Eukaryotic |
Eukaryotes |
600 |
0.54 |
Binding ≤ 10μM |
NMDE4-2-E |
Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #2 Of 6), Eukaryotic |
Eukaryotes |
131 |
0.60 |
Binding ≤ 10μM
|
NMDE4-2-E |
Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #2 Of 6), Eukaryotic |
Eukaryotes |
3160 |
0.48 |
Binding ≤ 10μM
|
NMDZ1-4-E |
Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #4 Of 6), Eukaryotic |
Eukaryotes |
86 |
0.62 |
Binding ≤ 10μM |
NMDZ1-4-E |
Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #4 Of 6), Eukaryotic |
Eukaryotes |
600 |
0.54 |
Binding ≤ 10μM |
GRIA1-3-E |
Glutamate Receptor Ionotropic, AMPA 1 (cluster #3 Of 3), Eukaryotic |
Eukaryotes |
1600 |
0.51 |
Functional ≤ 10μM
|
GRIA2-3-E |
Glutamate Receptor Ionotropic, AMPA 2 (cluster #3 Of 4), Eukaryotic |
Eukaryotes |
1600 |
0.51 |
Functional ≤ 10μM
|
GRIA3-2-E |
Glutamate Receptor Ionotropic, AMPA 3 (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
1600 |
0.51 |
Functional ≤ 10μM
|
GRIA4-2-E |
Glutamate Receptor Ionotropic, AMPA 4 (cluster #2 Of 3), Eukaryotic |
Eukaryotes |
1600 |
0.51 |
Functional ≤ 10μM
|
Z104302-3-O |
Glutamate NMDA Receptor (cluster #3 Of 7), Other |
Other |
50 |
0.64 |
Binding ≤ 10μM
|
Z104302-3-O |
Glutamate NMDA Receptor (cluster #3 Of 7), Other |
Other |
837 |
0.53 |
Binding ≤ 10μM
|
Z104302-1-O |
Glutamate NMDA Receptor (cluster #1 Of 3), Other |
Other |
80 |
0.62 |
Functional ≤ 10μM
|
Z50597-2-O |
Rattus Norvegicus (cluster #2 Of 12), Other |
Other |
800 |
0.53 |
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)
|
-3.22 |
-0.58 |
-64.39 |
3 |
7 |
-1 |
120 |
251.199 |
5 |
↓
|
Hi
High (pH 8-9.5)
|
-3.22 |
1.56 |
-134.79 |
2 |
7 |
-2 |
120 |
250.191 |
5 |
↓
|
Mid
Mid (pH 6-8)
|
-3.22 |
0.54 |
-145.88 |
2 |
7 |
-2 |
123 |
250.191 |
5 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
And 5 More
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
A2AIR5-1-E |
Glutamate [NMDA] Receptor Subunit 3A (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
320 |
0.65 |
Binding ≤ 10μM
|
NMD3B-2-E |
Glutamate [NMDA] Receptor Subunit 3B (cluster #2 Of 6), Eukaryotic |
Eukaryotes |
320 |
0.65 |
Binding ≤ 10μM
|
NMDE1-4-E |
Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #4 Of 5), Eukaryotic |
Eukaryotes |
730 |
0.61 |
Binding ≤ 10μM
|
NMDE2-4-E |
Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #4 Of 5), Eukaryotic |
Eukaryotes |
320 |
0.65 |
Binding ≤ 10μM
|
NMDE3-3-E |
Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #3 Of 4), Eukaryotic |
Eukaryotes |
320 |
0.65 |
Binding ≤ 10μM
|
NMDE4-2-E |
Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #2 Of 6), Eukaryotic |
Eukaryotes |
730 |
0.61 |
Binding ≤ 10μM
|
NMDZ1-4-E |
Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #4 Of 6), Eukaryotic |
Eukaryotes |
320 |
0.65 |
Binding ≤ 10μM
|
Z104302-3-O |
Glutamate NMDA Receptor (cluster #3 Of 7), Other |
Other |
912 |
0.60 |
Binding ≤ 10μM
|
Z104302-1-O |
Glutamate NMDA Receptor (cluster #1 Of 3), Other |
Other |
800 |
0.61 |
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)
|
-2.74 |
0.62 |
-69.16 |
4 |
6 |
-1 |
128 |
224.173 |
7 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
And 2 More
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
A2AIR5-1-E |
Glutamate [NMDA] Receptor Subunit 3A (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
320 |
0.65 |
Binding ≤ 10μM
|
NMD3A-2-E |
Glutamate [NMDA] Receptor Subunit 3A (cluster #2 Of 6), Eukaryotic |
Eukaryotes |
461 |
0.63 |
Binding ≤ 10μM |
NMD3B-2-E |
Glutamate [NMDA] Receptor Subunit 3B (cluster #2 Of 6), Eukaryotic |
Eukaryotes |
320 |
0.65 |
Binding ≤ 10μM
|
NMD3B-2-E |
Glutamate [NMDA] Receptor Subunit 3B (cluster #2 Of 6), Eukaryotic |
Eukaryotes |
461 |
0.63 |
Binding ≤ 10μM |
NMDE1-4-E |
Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #4 Of 5), Eukaryotic |
Eukaryotes |
461 |
0.63 |
Binding ≤ 10μM |
NMDE1-4-E |
Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #4 Of 5), Eukaryotic |
Eukaryotes |
730 |
0.61 |
Binding ≤ 10μM
|
NMDE2-4-E |
Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #4 Of 5), Eukaryotic |
Eukaryotes |
320 |
0.65 |
Binding ≤ 10μM
|
NMDE2-4-E |
Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #4 Of 5), Eukaryotic |
Eukaryotes |
461 |
0.63 |
Binding ≤ 10μM |
NMDE3-3-E |
Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #3 Of 4), Eukaryotic |
Eukaryotes |
320 |
0.65 |
Binding ≤ 10μM
|
NMDE3-3-E |
Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #3 Of 4), Eukaryotic |
Eukaryotes |
461 |
0.63 |
Binding ≤ 10μM |
NMDE4-2-E |
Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #2 Of 6), Eukaryotic |
Eukaryotes |
730 |
0.61 |
Binding ≤ 10μM
|
NMDE4-2-E |
Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #2 Of 6), Eukaryotic |
Eukaryotes |
2660 |
0.56 |
Binding ≤ 10μM
|
NMDZ1-4-E |
Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #4 Of 6), Eukaryotic |
Eukaryotes |
320 |
0.65 |
Binding ≤ 10μM
|
NMDZ1-4-E |
Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #4 Of 6), Eukaryotic |
Eukaryotes |
461 |
0.63 |
Binding ≤ 10μM |
Z104302-3-O |
Glutamate NMDA Receptor (cluster #3 Of 7), Other |
Other |
912 |
0.60 |
Binding ≤ 10μM
|
Z104302-3-O |
Glutamate NMDA Receptor (cluster #3 Of 7), Other |
Other |
912 |
0.60 |
Binding ≤ 10μM
|
Z104302-1-O |
Glutamate NMDA Receptor (cluster #1 Of 3), Other |
Other |
800 |
0.61 |
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)
|
-2.74 |
0.63 |
-68.99 |
4 |
6 |
-1 |
128 |
224.173 |
7 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
And 7 More
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
A2AIR5-2-E |
Glutamate [NMDA] Receptor Subunit 3A (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
35 |
0.58 |
Binding ≤ 10μM
|
ACM1-3-E |
Muscarinic Acetylcholine Receptor M1 (cluster #3 Of 5), Eukaryotic |
Eukaryotes |
9100 |
0.39 |
Binding ≤ 10μM
|
ACM2-3-E |
Muscarinic Acetylcholine Receptor M2 (cluster #3 Of 6), Eukaryotic |
Eukaryotes |
9100 |
0.39 |
Binding ≤ 10μM
|
ACM3-1-E |
Muscarinic Acetylcholine Receptor M3 (cluster #1 Of 5), Eukaryotic |
Eukaryotes |
9100 |
0.39 |
Binding ≤ 10μM
|
ACM4-1-E |
Muscarinic Acetylcholine Receptor M4 (cluster #1 Of 6), Eukaryotic |
Eukaryotes |
9100 |
0.39 |
Binding ≤ 10μM
|
ACM5-2-E |
Muscarinic Acetylcholine Receptor M5 (cluster #2 Of 4), Eukaryotic |
Eukaryotes |
9100 |
0.39 |
Binding ≤ 10μM
|
CHLE-2-E |
Butyrylcholinesterase (cluster #2 Of 7), Eukaryotic |
Eukaryotes |
525 |
0.49 |
Binding ≤ 10μM
|
NMD3A-3-E |
Glutamate [NMDA] Receptor Subunit 3A (cluster #3 Of 6), Eukaryotic |
Eukaryotes |
23 |
0.59 |
Binding ≤ 10μM
|
NMD3B-3-E |
Glutamate [NMDA] Receptor Subunit 3B (cluster #3 Of 6), Eukaryotic |
Eukaryotes |
35 |
0.58 |
Binding ≤ 10μM
|
NMDE1-2-E |
Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #2 Of 5), Eukaryotic |
Eukaryotes |
23 |
0.59 |
Binding ≤ 10μM
|
NMDE2-5-E |
Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #5 Of 5), Eukaryotic |
Eukaryotes |
23 |
0.59 |
Binding ≤ 10μM
|
NMDE3-1-E |
Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #1 Of 4), Eukaryotic |
Eukaryotes |
23 |
0.59 |
Binding ≤ 10μM
|
NMDE4-3-E |
Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #3 Of 6), Eukaryotic |
Eukaryotes |
35 |
0.58 |
Binding ≤ 10μM
|
NMDZ1-2-E |
Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #2 Of 6), Eukaryotic |
Eukaryotes |
23 |
0.59 |
Binding ≤ 10μM
|
PCP-1-E |
Lysosomal Pro-X Carboxypeptidase (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
91 |
0.55 |
Binding ≤ 10μM
|
SGMR1-1-E |
Sigma Opioid Receptor (cluster #1 Of 6), Eukaryotic |
Eukaryotes |
530 |
0.49 |
Binding ≤ 10μM
|
CP2B6-2-E |
Cytochrome P450 2B6 (cluster #2 Of 4), Eukaryotic |
Eukaryotes |
10000 |
0.39 |
ADME/T ≤ 10μM
|
Z104302-1-O |
Glutamate NMDA Receptor (cluster #1 Of 7), Other |
Other |
10 |
0.62 |
Binding ≤ 10μM
|
Z50594-1-O |
Mus Musculus (cluster #1 Of 1), Other |
Other |
270 |
0.51 |
Binding ≤ 10μM
|
Z50597-1-O |
Rattus Norvegicus (cluster #1 Of 5), Other |
Other |
270 |
0.51 |
Binding ≤ 10μM
|
Z104302-1-O |
Glutamate NMDA Receptor (cluster #1 Of 3), Other |
Other |
200 |
0.52 |
Functional ≤ 10μM
|
Z50597-1-O |
Rattus Norvegicus (cluster #1 Of 12), Other |
Other |
200 |
0.52 |
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)
|
4.82 |
10.57 |
-26.82 |
1 |
1 |
1 |
4 |
244.402 |
2 |
↓
|
|
|
Analogs
-
26011425
-
-
1482044
-
-
1854016
-
Draw
Identity
99%
90%
80%
70%
Vendors
And 3 More
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
A2AIR5-2-E |
Glutamate [NMDA] Receptor Subunit 3A (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
1 |
0.74 |
Binding ≤ 10μM
|
AA3R-3-E |
Adenosine Receptor A3 (cluster #3 Of 6), Eukaryotic |
Eukaryotes |
2 |
0.72 |
Binding ≤ 10μM
|
GRL1A-1-E |
Glutamate [NMDA] Receptor-like 1A (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
2 |
0.72 |
Binding ≤ 10μM |
NMD3A-3-E |
Glutamate [NMDA] Receptor Subunit 3A (cluster #3 Of 6), Eukaryotic |
Eukaryotes |
2 |
0.72 |
Binding ≤ 10μM |
NMD3B-3-E |
Glutamate [NMDA] Receptor Subunit 3B (cluster #3 Of 6), Eukaryotic |
Eukaryotes |
1 |
0.74 |
Binding ≤ 10μM
|
NMD3B-3-E |
Glutamate [NMDA] Receptor Subunit 3B (cluster #3 Of 6), Eukaryotic |
Eukaryotes |
31 |
0.62 |
Binding ≤ 10μM
|
NMDE1-2-E |
Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #2 Of 5), Eukaryotic |
Eukaryotes |
7 |
0.67 |
Binding ≤ 10μM
|
NMDE1-2-E |
Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #2 Of 5), Eukaryotic |
Eukaryotes |
31 |
0.62 |
Binding ≤ 10μM
|
NMDE2-1-E |
Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #1 Of 5), Eukaryotic |
Eukaryotes |
7 |
0.67 |
Binding ≤ 10μM
|
NMDE2-1-E |
Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #1 Of 5), Eukaryotic |
Eukaryotes |
31 |
0.62 |
Binding ≤ 10μM
|
NMDE3-1-E |
Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #1 Of 4), Eukaryotic |
Eukaryotes |
7 |
0.67 |
Binding ≤ 10μM
|
NMDE3-1-E |
Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #1 Of 4), Eukaryotic |
Eukaryotes |
31 |
0.62 |
Binding ≤ 10μM
|
NMDE4-3-E |
Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #3 Of 6), Eukaryotic |
Eukaryotes |
2 |
0.72 |
Binding ≤ 10μM |
NMDE4-3-E |
Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #3 Of 6), Eukaryotic |
Eukaryotes |
31 |
0.62 |
Binding ≤ 10μM
|
NMDZ1-2-E |
Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #2 Of 6), Eukaryotic |
Eukaryotes |
7 |
0.67 |
Binding ≤ 10μM
|
NMDZ1-2-E |
Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #2 Of 6), Eukaryotic |
Eukaryotes |
31 |
0.62 |
Binding ≤ 10μM
|
PCP-1-E |
Lysosomal Pro-X Carboxypeptidase (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
5 |
0.68 |
Binding ≤ 10μM
|
SGMR1-1-E |
Sigma Opioid Receptor (cluster #1 Of 6), Eukaryotic |
Eukaryotes |
1700 |
0.48 |
Binding ≤ 10μM
|
NMDE1-1-E |
Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
29 |
0.62 |
Functional ≤ 10μM
|
NMDZ1-2-E |
Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #2 Of 3), Eukaryotic |
Eukaryotes |
9 |
0.66 |
Functional ≤ 10μM
|
Z104302-1-O |
Glutamate NMDA Receptor (cluster #1 Of 7), Other |
Other |
7 |
0.67 |
Binding ≤ 10μM |
Z50594-1-O |
Mus Musculus (cluster #1 Of 1), Other |
Other |
5800 |
0.43 |
Binding ≤ 10μM
|
Z104302-1-O |
Glutamate NMDA Receptor (cluster #1 Of 3), Other |
Other |
58 |
0.60 |
Functional ≤ 10μM
|
Z50425-3-O |
Plasmodium Falciparum (cluster #3 Of 22), Other |
Other |
3981 |
0.44 |
Functional ≤ 10μM
|
Z50594-6-O |
Mus Musculus (cluster #6 Of 9), Other |
Other |
6 |
0.68 |
Functional ≤ 10μM
|
Z50597-1-O |
Rattus Norvegicus (cluster #1 Of 12), Other |
Other |
54 |
0.60 |
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)
|
3.48 |
6.6 |
-4.25 |
1 |
1 |
0 |
12 |
221.303 |
0 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Vendors
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
A2AIR5-2-E |
Glutamate [NMDA] Receptor Subunit 3A (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
95 |
0.70 |
Binding ≤ 10μM
|
AA3R-6-E |
Adenosine Receptor A3 (cluster #6 Of 6), Eukaryotic |
Eukaryotes |
967 |
0.60 |
Binding ≤ 10μM
|
GRINA-1-E |
Glutamate [NMDA] Receptor Associated Protein 1 (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
29 |
0.75 |
Binding ≤ 10μM |
NMD3A-2-E |
Glutamate [NMDA] Receptor Subunit 3A (cluster #2 Of 6), Eukaryotic |
Eukaryotes |
69 |
0.72 |
Binding ≤ 10μM |
NMD3B-2-E |
Glutamate [NMDA] Receptor Subunit 3B (cluster #2 Of 6), Eukaryotic |
Eukaryotes |
95 |
0.70 |
Binding ≤ 10μM
|
NMDE1-4-E |
Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #4 Of 5), Eukaryotic |
Eukaryotes |
54 |
0.73 |
Binding ≤ 10μM |
NMDE2-4-E |
Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #4 Of 5), Eukaryotic |
Eukaryotes |
54 |
0.73 |
Binding ≤ 10μM |
NMDE3-3-E |
Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #3 Of 4), Eukaryotic |
Eukaryotes |
54 |
0.73 |
Binding ≤ 10μM |
NMDE4-2-E |
Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #2 Of 6), Eukaryotic |
Eukaryotes |
99 |
0.70 |
Binding ≤ 10μM
|
NMDZ1-2-E |
Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #2 Of 6), Eukaryotic |
Eukaryotes |
54 |
0.73 |
Binding ≤ 10μM |
A2AIR5-1-E |
Glutamate [NMDA] Receptor Subunit 3A (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
1600 |
0.58 |
Functional ≤ 10μM
|
NMD3B-2-E |
Glutamate [NMDA] Receptor Subunit 3B (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
1600 |
0.58 |
Functional ≤ 10μM
|
NMDE1-1-E |
Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
1600 |
0.58 |
Functional ≤ 10μM
|
NMDE2-1-E |
Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
1600 |
0.58 |
Functional ≤ 10μM
|
NMDE3-2-E |
Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #2 Of 2), Eukaryotic |
Eukaryotes |
1600 |
0.58 |
Functional ≤ 10μM
|
NMDE4-1-E |
Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
1600 |
0.58 |
Functional ≤ 10μM
|
NMDZ1-1-E |
Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
1600 |
0.58 |
Functional ≤ 10μM
|
Z104302-3-O |
Glutamate NMDA Receptor (cluster #3 Of 7), Other |
Other |
87 |
0.71 |
Binding ≤ 10μM |
Z104302-1-O |
Glutamate NMDA Receptor (cluster #1 Of 3), Other |
Other |
22 |
0.77 |
Functional ≤ 10μM
|
Z50597-2-O |
Rattus Norvegicus (cluster #2 Of 12), Other |
Other |
1100 |
0.60 |
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)
|
-2.61 |
0.05 |
-70.08 |
3 |
6 |
-1 |
117 |
222.157 |
3 |
↓
|
|