Reaction Details
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Microtubule-associated serine/threonine-protein kinase 3
Ligand
BDBM50439430
Substrate
n/a
Meas. Tech.
ChEMBL_980178 (CHEMBL2424216)
IC50
1010±n/a nM
Citation
Li, B; Cociorva, OM; Nomanbhoy, T; Weissig, H; Li, Q; Nakamura, K; Liyanage, M; Zhang, MC; Shih, AY; Aban, A; Hu, Y; Cajica, J; Pham, L; Kozarich, JW; Shreder, KR Hit-to-lead optimization and kinase selectivity of imidazo[1,2-a]quinoxalin-4-amine derived JNK1 inhibitors. Bioorg Med Chem Lett 23:5217-22 (2013) [PubMed] Article More Info.:
Target
Name:
Microtubule-associated serine/threonine-protein kinase 3
Synonyms:
KIAA0561 | MAST3 | MAST3_HUMAN
Type:
PROTEIN
Mol. Mass.:
143157.77
Organism:
Homo sapiens (Human)
Description:
ChEMBL_107645
Residue:
1309
Sequence:
MDESSLLRRRGLQKELSLPRRGRGCRSGNRKSLVVGTPSPTLSRPLSPLSVPTAGSSPLDSPRNFSAASALNFPFARRADGRRWSLASLPSSGYGTNTPSSTLSSSSSSRERLHQLPFQPTPDELHFLSKHFRSSENVLDEEGGRSPRLRPRSRSLSPGRATGTFDNEIVMMNHVYRERFPKATAQMEGRLQEFLTAYAPGARLALADGVLGFIHHQIVELARDCLAKSGENLVTSRYFLEMQEKLERLLQDAHERSDSEEVSFIVQLVRKLLIIISRPARLLECLEFDPEEFYHLLEAAEGHAREGQGIKTDLPQYIIGQLGLAKDPLEEMVPLSHLEEEQPPAPESPESRALVGQSRRKPCESDFETIKLISNGAYGAVYLVRHRDTRQRFAIKKINKQNLILRNQIQQVFVERDILTFAENPFVVSMFCSFETRRHLCMVMEYVEGGDCATLLKNMGPLPVDMARLYFAETVLALEYLHNYGIVHRDLKPDNLLITSLGHIKLTDFGLSKIGLMSMATNLYEGHIEKDAREFIDKQVCGTPEYIAPEVIFRQGYGKPVDWWAMGVVLYEFLVGCVPFFGDTPEELFGQVVSDEIMWPEGDEALPADAQDLITRLLRQSPLDRLGTGGTHEVKQHPFFLALDWAGLLRHKAEFVPQLEAEDDTSYFDTRSERYRHLGSEDDETNDEESSTEIPQFSSCSHRFSKVYSSSEFLAVQPTPTFAERSFSEDREEGWERSEVDYGRRLSADIRLRSWTSSGSSCQSSSSQPERGPSPSLLNTISLDTMPKFAFSSEDEGVGPGPAGPKRPVFILGEPDPPPAATPVMPKPSSLSADTAALSHARLRSNSIGARHSTPRPLDAGRGRRLGGPRDPAPEKSRASSSGGSGGGSGGRVPKSASVSALSLIITADDGSGGPLMSPLSPRSLSSNPSSRDSSPSRDPSPVCGSLRPPIVIHSSGKKYGFSLRAIRVYMGDSDVYTVHHVVWSVEDGSPAQEAGLRAGDLITHINGESVLGLVHMDVVELLLKSGNKISLRTTALENTSIKVGPARKNVAKGRMARRSKRSRRRETQDRRKSLFKKISKQTSVLHTSRSFSSGLHHSLSSSESLPGSPTHSLSPSPTTPCRSPAPDVPADTTASPPSASPSSSSPASPAAAGHTRPSSLHGLAAKLGPPRPKTGRRKSTSSIPPSPLACPPISAPPPRSPSPLPGHPPAPARSPRLRRGQSADKLGTGERLDGEAGRRTRGPEAELVVMRRLHLSERRDSFKKQEAVQEVSFDEPQEEATGLPTSVPQIAVEGEEAVPVALGPTGRD
Inhibitor
Name:
BDBM50439430
Synonyms:
CHEMBL2420556
Type:
Small organic molecule
Emp. Form.:
C25H27N5O2
Mol. Mass.:
429.5142
SMILES:
C[C@@H](NC(=O)c1ccc2nc(N[C@H]3CC[C@H](O)CC3)c3nccn3c2c1)c1ccccc1 |r,wU:15.15,wD:12.11,1.0,(21.6,-19.5,;21.6,-21.04,;20.26,-21.81,;18.93,-21.04,;18.93,-19.5,;17.59,-21.81,;17.59,-23.35,;16.26,-24.12,;14.93,-23.35,;13.59,-24.12,;12.26,-23.35,;10.93,-24.12,;9.59,-23.35,;9.59,-21.81,;8.26,-21.04,;6.93,-21.81,;5.59,-21.04,;6.93,-23.35,;8.26,-24.12,;12.26,-21.81,;11.12,-20.78,;11.74,-19.38,;13.27,-19.54,;13.59,-21.04,;14.93,-21.81,;16.26,-21.04,;22.93,-21.81,;22.93,-23.35,;24.26,-24.12,;25.6,-23.35,;25.6,-21.81,;24.26,-21.04,)|
Structure:
