Kinases | Ligands | Experimental data | Predicted interaction energies (kcal/mol) |
---|---|---|---|
JNK kinase | Â | % Substrate phosphorylation | Â |
JNK | N6-(benzyl) | 99 | 0a |
 | N6-(2-phenythyl) | 98 | 0a |
 | N6-(cyclopentyl) | 97 | 0a |
 | N6-(1-methylbutyl) | 93 | 0a |
JNKM108GL168A | N6-(benzyl) | 62 | −17.34 |
 | N6-(cyclopentyl) | 59 | −14.42 |
 | N6-(1-methylbutyl) | 47 | −20.42 |
 | N6-(2-phenythyl) | 8 | −33.0 |
v-Src tyrosine kinase |  | kcat/Km (min −1 M −1 ) |  |
v-Src | ATP | 1.6*105 | −21.35 |
v-SrcI338A |  | 1.4*104 | −19.91 |
v-SrcI338G |  | 1*104 | −19.01 |
v-Src | N6-(benzyl) ATP | 0 | 0a |
v-SrcI338A |  | 2.5*104 | −14.92 |
v-SrcI338G |  | 4.0*104 | −29.17 |
Tyrosine and serine/threonine kinases |  | IC 50 (μM) |  |
v-Src | PP1 | 5 ± 2 | 0a |
v-SrcI338F |  | 8 ± 2 | 0a |
v-SrcI338 M |  | 8 ± 1 | 0a |
v-SrcI338S |  | 0.4 ± 0.05 | −28.78 |
v-SrcI338T |  | 0.1 ± 0.02 | −33.32 |
v-SrcI338 V |  | 0.1 ± 0.02 | −27.41 |
v-SrcI338C |  | 0.07 ± 0.02 | −27.44 |
v-SrcI338A |  | 0.005 ± 0.002 | −39.26 |
v-SrcI338G |  | 0.005 ± 0.002 | −38.56 |
Fyn |  | 0.05 ± 0.02 | −36.81 |
FynT339A |  | 0.005 ± 0.002 | −36.21 |
Abl |  | 0.3 ± 0.03 | −32.93 |
AblT334A |  | 0.03 ± 0.005 | −33.86 |
CamKII |  | 80 ± 10 | 0a |
CamKIIF89G |  | 0.5 ± 0.1 | −15.74 |
Cdk2 |  | 50 ± 10 | 0a |
Cdk2F80G |  | 0.16 ± 0.03 | −24.85 |
P38 |  | 0.82 ± 0.2 | −34.61 |
P38T106A |  | 0.0027 ± 0.005 | −33.43 |
P38T106G |  | 0.0027 ± 0.005 | −32.78 |