Compound name
MLi-2
Protein family
Protein Kinase
Target name
LRRK2
Affinity biochemical (nM)
0.76
Affinity on-target cellular (nM)
1.2
CG-Set
Kinase set
Recommended Concentration
100 nM
Compound EUbOPEN ID
EUB0000715a
SMILES
[H][C@@]1(CN(C2=NC=NC(C3=NNC4=C3C=C(OC5(CC5)C)C=C4)=C2)C[C@@](C)(O1)[H])C
InChIKey
ATUUNJCZCOMUKD-OKILXGFUSA-N
NCBI gene ID
120892
UniProt ID
Q5S007
Synonyms
ROCO2, DKFZp434H2111, FLJ45829, RIPK7
Mode of action
Inhibitor
Negative control
MLi-2-NC
Affinity biochemical definition
IC50
Affinity biochemical assay type
LanthaScreen
Affinity Biochemical Source Knowledge
https://doi.org/10.1124/jpet.115.227587
Affinity biochemical relation
=
Affinity on-target cellular definition
IC50
Affinity on-target cellular assay type
NanoBRET assay (HEK293T cells)
Affinity on-target cellular relation
=
Selectivity platform
SelectScreen (Invitrogen)
Selectivity platform number of targets
308
Selectivity remarks
Screened at 1 µM, >100-fold selective, closest targets: IC50(CLK4) = 225 nM, IC50(MAP3K14) = 244 nM, IC50(MAP3K5) = 428 nM, IC50(CLK2) = 605 nM, IC50(TTK) = 935 nM); PanLabs Profile showed 5 hits > 50% inhibition at 10 µM: IC50 (HTR2B) = 1.2 µM, IC50(SLC6A2) = 3.8 µM, IC50(CHRM2) = 6.4 µM, IC50(PPARG) = 6.5 µM, IC50(adenosine transporter) = 9.7 µM; Screened against 45 GPCR targets (PDSP screen) at 10 µM, closest target: Ki(TMEM97) = 4600.45 nM
Selectivity Source Knowledge
https://doi.org/10.1124/jpet.115.227587
Selectivity Number of Off-targets
5