Reaction Details
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Microtubule-associated serine/threonine-protein kinase 3
Ligand
BDBM50439429
Substrate
n/a
Meas. Tech.
ChEMBL_980178 (CHEMBL2424216)
IC50
1400±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:
BDBM50439429
Synonyms:
CHEMBL2420562
Type:
Small organic molecule
Emp. Form.:
C26H29N5O2
Mol. Mass.:
443.5408
SMILES:
CC[C@@H](NC(=O)c1ccc2nc(N[C@H]3CC[C@H](O)CC3)c3nccn3c2c1)c1ccccc1 |r,wU:2.2,13.12,wD:16.16,(23.25,-31.89,;21.92,-31.12,;21.92,-29.58,;20.58,-28.81,;19.25,-29.58,;19.25,-31.12,;17.92,-28.81,;16.58,-29.58,;15.25,-28.81,;15.25,-27.27,;13.92,-26.5,;13.92,-24.96,;12.58,-24.19,;11.25,-24.96,;11.25,-26.5,;9.92,-27.27,;8.58,-26.5,;7.25,-27.27,;8.58,-24.96,;9.92,-24.19,;15.25,-24.19,;15.57,-22.69,;17.1,-22.52,;17.73,-23.93,;16.58,-24.96,;16.58,-26.5,;17.92,-27.27,;23.25,-28.81,;23.25,-27.27,;24.59,-26.5,;25.92,-27.27,;25.92,-28.81,;24.59,-29.58,)|
Structure:
