Reaction Details
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Microtubule-associated serine/threonine-protein kinase 3
Ligand
BDBM50439428
Substrate
n/a
Meas. Tech.
ChEMBL_980178 (CHEMBL2424216)
IC50
290±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:
BDBM50439428
Synonyms:
CHEMBL2420564
Type:
Small organic molecule
Emp. Form.:
C25H27N5O3
Mol. Mass.:
445.5136
SMILES:
OC[C@@H](NC(=O)c1ccc2nc(N[C@H]3CC[C@H](O)CC3)c3nccn3c2c1)c1ccccc1 |r,wU:13.12,2.2,wD:16.16,(22.2,-27.64,;20.87,-26.87,;20.87,-25.33,;19.54,-24.56,;18.2,-25.33,;18.2,-26.87,;16.87,-24.56,;15.54,-25.33,;14.2,-24.56,;14.2,-23.02,;12.87,-22.25,;12.87,-20.71,;11.54,-19.94,;10.2,-20.71,;10.2,-22.25,;8.87,-23.02,;7.53,-22.25,;6.2,-23.02,;7.53,-20.71,;8.87,-19.94,;14.2,-19.94,;14.52,-18.43,;16.05,-18.27,;16.68,-19.68,;15.54,-20.71,;15.54,-22.25,;16.87,-23.02,;22.2,-24.56,;22.2,-23.02,;23.54,-22.25,;24.87,-23.02,;24.87,-24.56,;23.54,-25.33,)|
Structure:
