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)
|
4.65 |
10 |
-9.82 |
1 |
5 |
0 |
60 |
371.44 |
5 |
↓
|
Clustered Target Annotations
| Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
|
ACK1-1-E |
Tyrosine Kinase Non-receptor Protein 2 (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
24 |
0.38 |
Binding ≤ 10μM
|
|
LCK-1-E |
Tyrosine-protein Kinase LCK (cluster #1 Of 4), Eukaryotic |
Eukaryotes |
122 |
0.35 |
Binding ≤ 10μM
|
Reactome Annotations from Targets (via Uniprot)
| Description |
Species |
|
CD28 co-stimulation |
|
|
CD28 dependent PI3K/Akt signaling |
|
|
CD28 dependent Vav1 pathway |
|
|
Constitutive PI3K/AKT Signaling in Cancer |
|
|
CTLA4 inhibitory signaling |
|
|
DAP12 signaling |
|
|
Downstream TCR signaling |
|
|
Generation of second messenger molecules |
|
|
GPVI-mediated activation cascade |
|
|
Interleukin-2 signaling |
|
|
Nef and signal transduction |
|
|
Nef Mediated CD4 Down-regulation |
|
|
PD-1 signaling |
|
|
PECAM1 interactions |
|
|
Phosphorylation of CD3 and TCR zeta chains |
|
|
PIP3 activates AKT signaling |
|
|
Regulation of KIT signaling |
|
|
Signaling by SCF-KIT |
|
|
Translocation of ZAP-70 to Immunological synapse |
|
No pre-computed analogs available. Try a structural similarity search.
