|
Analogs
Draw
Identity
99%
90%
80%
70%
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
FNTA-1-E |
Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
0 |
0.00 |
Binding ≤ 10μM
|
FNTB-1-E |
Protein Farnesyltransferase Beta Subunit (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
0 |
0.00 |
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)
|
3.69 |
16.83 |
-41.04 |
1 |
7 |
1 |
83 |
464.549 |
7 |
↓
|
Mid
Mid (pH 6-8)
|
3.69 |
16.32 |
-18.6 |
0 |
7 |
0 |
82 |
463.541 |
7 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
FNTA-1-E |
Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
0 |
0.00 |
Binding ≤ 10μM
|
FNTB-1-E |
Protein Farnesyltransferase Beta Subunit (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
0 |
0.00 |
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)
|
3.69 |
16.82 |
-41.55 |
1 |
7 |
1 |
83 |
464.549 |
7 |
↓
|
Mid
Mid (pH 6-8)
|
3.69 |
16.3 |
-16.3 |
0 |
7 |
0 |
82 |
463.541 |
7 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
FNTA-1-E |
Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
0 |
0.00 |
Binding ≤ 10μM
|
FNTB-1-E |
Protein Farnesyltransferase Beta Subunit (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
0 |
0.00 |
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)
|
4.74 |
17.06 |
-37.46 |
1 |
6 |
1 |
60 |
518.435 |
7 |
↓
|
Mid
Mid (pH 6-8)
|
4.74 |
16.55 |
-14.87 |
0 |
6 |
0 |
58 |
517.427 |
7 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
FNTA-1-E |
Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
0 |
0.00 |
Binding ≤ 10μM
|
FNTB-1-E |
Protein Farnesyltransferase Beta Subunit (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
0 |
0.00 |
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)
|
4.74 |
17.04 |
-37.16 |
1 |
6 |
1 |
60 |
518.435 |
7 |
↓
|
Mid
Mid (pH 6-8)
|
4.74 |
16.53 |
-13.25 |
0 |
6 |
0 |
58 |
517.427 |
7 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
FNTA-1-E |
Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
1 |
0.34 |
Binding ≤ 10μM
|
FNTB-1-E |
Protein Farnesyltransferase Beta Subunit (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
1 |
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)
|
2.83 |
13.99 |
-46.05 |
1 |
8 |
1 |
94 |
517.631 |
8 |
↓
|
Mid
Mid (pH 6-8)
|
2.83 |
13.48 |
-22.17 |
0 |
8 |
0 |
93 |
516.623 |
8 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
FNTA-1-E |
Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
1 |
0.34 |
Binding ≤ 10μM
|
FNTB-1-E |
Protein Farnesyltransferase Beta Subunit (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
1 |
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)
|
2.83 |
13.98 |
-47.25 |
1 |
8 |
1 |
94 |
517.631 |
8 |
↓
|
Mid
Mid (pH 6-8)
|
2.83 |
13.47 |
-21.62 |
0 |
8 |
0 |
93 |
516.623 |
8 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
FNTA-1-E |
Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
0 |
0.00 |
Binding ≤ 10μM
|
FNTB-1-E |
Protein Farnesyltransferase Beta Subunit (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
0 |
0.00 |
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)
|
4.45 |
18.34 |
-37.48 |
1 |
6 |
1 |
60 |
499.66 |
9 |
↓
|
Mid
Mid (pH 6-8)
|
4.45 |
17.83 |
-14.75 |
0 |
6 |
0 |
58 |
498.652 |
9 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
FNTA-1-E |
Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
0 |
0.00 |
Binding ≤ 10μM
|
FNTB-1-E |
Protein Farnesyltransferase Beta Subunit (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
0 |
0.00 |
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)
|
4.45 |
18.33 |
-36.62 |
1 |
6 |
1 |
60 |
499.66 |
9 |
↓
|
Mid
Mid (pH 6-8)
|
4.45 |
17.82 |
-15.27 |
0 |
6 |
0 |
58 |
498.652 |
9 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
FNTA-1-E |
Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
0 |
0.00 |
Binding ≤ 10μM
|
FNTB-1-E |
Protein Farnesyltransferase Beta Subunit (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
0 |
0.00 |
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)
|
4.77 |
17.07 |
-37.47 |
1 |
6 |
1 |
60 |
518.435 |
7 |
↓
|
Mid
Mid (pH 6-8)
|
4.77 |
16.56 |
-13.88 |
0 |
6 |
0 |
58 |
517.427 |
7 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
FNTA-1-E |
Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
0 |
0.00 |
Binding ≤ 10μM
|
FNTB-1-E |
Protein Farnesyltransferase Beta Subunit (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
0 |
0.00 |
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)
|
4.77 |
17.06 |
-37.05 |
1 |
6 |
1 |
60 |
518.435 |
7 |
↓
|
Mid
Mid (pH 6-8)
|
4.77 |
16.55 |
-14.14 |
0 |
6 |
0 |
58 |
517.427 |
7 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
FNTA-1-E |
Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
1 |
0.32 |
Binding ≤ 10μM
|
FNTB-1-E |
Protein Farnesyltransferase Beta Subunit (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
1 |
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)
|
2.95 |
14.08 |
-48.89 |
1 |
9 |
1 |
118 |
542.641 |
8 |
↓
|
Mid
Mid (pH 6-8)
|
2.95 |
13.56 |
-24.68 |
0 |
9 |
0 |
116 |
541.633 |
8 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
FNTA-1-E |
Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
1 |
0.32 |
Binding ≤ 10μM
|
FNTB-1-E |
Protein Farnesyltransferase Beta Subunit (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
1 |
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)
|
2.95 |
14.06 |
-49.76 |
1 |
9 |
1 |
118 |
542.641 |
8 |
↓
|
Mid
Mid (pH 6-8)
|
2.95 |
13.55 |
-22.95 |
0 |
9 |
0 |
116 |
541.633 |
8 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
FNTA-1-E |
Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
1 |
0.32 |
Binding ≤ 10μM
|
FNTB-1-E |
Protein Farnesyltransferase Beta Subunit (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
1 |
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)
|
2.85 |
13.44 |
-49.06 |
2 |
9 |
1 |
106 |
546.673 |
10 |
↓
|
Mid
Mid (pH 6-8)
|
2.85 |
12.93 |
-23.82 |
1 |
9 |
0 |
105 |
545.665 |
10 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
FNTA-1-E |
Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
1 |
0.32 |
Binding ≤ 10μM
|
FNTB-1-E |
Protein Farnesyltransferase Beta Subunit (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
1 |
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)
|
2.85 |
13.03 |
-48.61 |
2 |
9 |
1 |
106 |
546.673 |
10 |
↓
|
Mid
Mid (pH 6-8)
|
2.85 |
12.52 |
-21.27 |
1 |
9 |
0 |
105 |
545.665 |
10 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
FNTA-1-E |
Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
0 |
0.00 |
Binding ≤ 10μM
|
FNTB-1-E |
Protein Farnesyltransferase Beta Subunit (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
0 |
0.00 |
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)
|
4.61 |
16.96 |
-37.45 |
1 |
6 |
1 |
60 |
473.984 |
7 |
↓
|
Mid
Mid (pH 6-8)
|
4.61 |
16.45 |
-14.87 |
0 |
6 |
0 |
58 |
472.976 |
7 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
FNTA-1-E |
Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
0 |
0.00 |
Binding ≤ 10μM
|
FNTB-1-E |
Protein Farnesyltransferase Beta Subunit (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
0 |
0.00 |
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)
|
4.61 |
16.94 |
-37.22 |
1 |
6 |
1 |
60 |
473.984 |
7 |
↓
|
Mid
Mid (pH 6-8)
|
4.61 |
16.43 |
-13.34 |
0 |
6 |
0 |
58 |
472.976 |
7 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
FNTA-1-E |
Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
0 |
0.00 |
Binding ≤ 10μM
|
FNTB-1-E |
Protein Farnesyltransferase Beta Subunit (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
0 |
0.00 |
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)
|
3.87 |
17.02 |
-74.4 |
1 |
8 |
0 |
100 |
482.54 |
8 |
↓
|
Mid
Mid (pH 6-8)
|
3.87 |
16.51 |
-58.83 |
0 |
8 |
-1 |
99 |
481.532 |
8 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
FNTA-1-E |
Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
0 |
0.00 |
Binding ≤ 10μM
|
FNTB-1-E |
Protein Farnesyltransferase Beta Subunit (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
0 |
0.00 |
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)
|
3.87 |
17 |
-68.08 |
1 |
8 |
0 |
100 |
482.54 |
8 |
↓
|
Mid
Mid (pH 6-8)
|
3.87 |
16.49 |
-61.91 |
0 |
8 |
-1 |
99 |
481.532 |
8 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
FNTA-1-E |
Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
1 |
0.36 |
Binding ≤ 10μM
|
FNTB-1-E |
Protein Farnesyltransferase Beta Subunit (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
1 |
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)
|
3.71 |
16.84 |
-41.48 |
1 |
7 |
1 |
83 |
464.549 |
7 |
↓
|
Mid
Mid (pH 6-8)
|
3.71 |
16.33 |
-17.17 |
0 |
7 |
0 |
82 |
463.541 |
7 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
FNTA-1-E |
Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
1 |
0.36 |
Binding ≤ 10μM
|
FNTB-1-E |
Protein Farnesyltransferase Beta Subunit (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
1 |
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)
|
3.71 |
16.83 |
-40.9 |
1 |
7 |
1 |
83 |
464.549 |
7 |
↓
|
Mid
Mid (pH 6-8)
|
3.71 |
16.31 |
-17.55 |
0 |
7 |
0 |
82 |
463.541 |
7 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
FNTA-1-E |
Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
0 |
0.00 |
Binding ≤ 10μM
|
FNTB-1-E |
Protein Farnesyltransferase Beta Subunit (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
0 |
0.00 |
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)
|
2.89 |
13.26 |
-46.06 |
2 |
9 |
1 |
106 |
546.673 |
10 |
↓
|
Mid
Mid (pH 6-8)
|
2.89 |
12.75 |
-24.11 |
1 |
9 |
0 |
105 |
545.665 |
10 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
FNTA-1-E |
Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
0 |
0.00 |
Binding ≤ 10μM
|
FNTB-1-E |
Protein Farnesyltransferase Beta Subunit (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
0 |
0.00 |
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)
|
2.89 |
13.24 |
-46.26 |
2 |
9 |
1 |
106 |
546.673 |
10 |
↓
|
Mid
Mid (pH 6-8)
|
2.89 |
12.73 |
-22.64 |
1 |
9 |
0 |
105 |
545.665 |
10 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
FNTA-1-E |
Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
1 |
0.32 |
Binding ≤ 10μM
|
FNTB-1-E |
Protein Farnesyltransferase Beta Subunit (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
1 |
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)
|
2.87 |
13.25 |
-44.23 |
2 |
9 |
1 |
106 |
546.673 |
10 |
↓
|
Mid
Mid (pH 6-8)
|
2.87 |
12.74 |
-24.09 |
1 |
9 |
0 |
105 |
545.665 |
10 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
FNTA-1-E |
Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
1 |
0.32 |
Binding ≤ 10μM
|
FNTB-1-E |
Protein Farnesyltransferase Beta Subunit (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
1 |
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)
|
2.87 |
13.23 |
-45.65 |
2 |
9 |
1 |
106 |
546.673 |
10 |
↓
|
Mid
Mid (pH 6-8)
|
2.87 |
12.72 |
-22.55 |
1 |
9 |
0 |
105 |
545.665 |
10 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
FNTA-1-E |
Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
2 |
0.35 |
Binding ≤ 10μM
|
FNTB-1-E |
Protein Farnesyltransferase Beta Subunit (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
2 |
0.35 |
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)
|
3.14 |
14.49 |
-88.85 |
4 |
7 |
2 |
87 |
469.589 |
8 |
↓
|
Mid
Mid (pH 6-8)
|
3.14 |
13.98 |
-57.7 |
3 |
7 |
1 |
86 |
468.581 |
8 |
↓
|
|
|
Analogs
Draw
Identity
99%
90%
80%
70%
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
FNTA-1-E |
Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
2 |
0.35 |
Binding ≤ 10μM
|
FNTB-1-E |
Protein Farnesyltransferase Beta Subunit (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
2 |
0.35 |
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)
|
3.14 |
14.47 |
-96.33 |
4 |
7 |
2 |
87 |
469.589 |
8 |
↓
|
Mid
Mid (pH 6-8)
|
3.14 |
13.96 |
-54.31 |
3 |
7 |
1 |
86 |
468.581 |
8 |
↓
|
|