Target
Microtubule-associated serine/threonine-protein kinase 3
Ligand
BDBM50439426
Substrate
n/a
Meas. Tech.
ChEMBL_980178 (CHEMBL2424216)
IC50
240±n/a nM
Citation
 Li, BCociorva, OMNomanbhoy, TWeissig, HLi, QNakamura, KLiyanage, MZhang, MCShih, AYAban, AHu, YCajica, JPham, LKozarich, JWShreder, 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 
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:
BDBM50439426
Synonyms:
CHEMBL2420572
Type:
Small organic molecule
Emp. Form.:
C26H27N5O2
Mol. Mass.:
441.5249
SMILES:
O[C@H]1CC[C@@H](CC1)Nc1nc2ccc(cc2n2ccnc12)C(=O)NC1(CC1)c1ccccc1 |r,wU:4.7,wD:1.0,(12.09,-19.11,;13.43,-19.86,;13.45,-21.4,;14.81,-22.15,;16.13,-21.36,;16.11,-19.82,;14.76,-19.08,;17.47,-22.12,;18.79,-21.32,;20.13,-22.08,;21.46,-21.29,;22.8,-22.04,;24.12,-21.25,;24.1,-19.71,;22.76,-18.96,;21.43,-19.75,;20.09,-19,;19.75,-17.5,;18.22,-17.36,;17.61,-18.77,;18.77,-19.79,;25.43,-18.93,;25.41,-17.39,;26.77,-19.67,;28.09,-18.89,;28.72,-17.48,;27.19,-17.64,;29.45,-19.61,;29.5,-21.15,;30.85,-21.89,;32.16,-21.07,;32.11,-19.53,;30.76,-18.81,)|
Structure:
Search PDB for entries with ligand similarity: