Target
Catenin beta-1/Protein Wnt-3a
Ligand
BDBM148401
Substrate
n/a
Meas. Tech.
Luciferase Assay
IC50
<300±n/a nM
Citation
 Moriyama, HSawa, MUno, YKashimoto, SYamada, T Quinazoline derivative US Patent  US9682961 Publication Date 6/20/2017 
Target
Name:
Catenin beta-1/Protein Wnt-3a
Synonyms:
Wnt/beta-Catenin
Type:
Protein
Mol. Mass.:
n/a
Description:
n/a
Components:
This complex has 2 components.
Component 1
Name:
Protein Wnt-3a
Synonyms:
WNT3A | WNT3A_HUMAN
Type:
PROTEIN
Mol. Mass.:
39379.02
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1469237
Residue:
352
Sequence:
MAPLGYFLLLCSLKQALGSYPIWWSLAVGPQYSSLGSQPILCASIPGLVPKQLRFCRNYVEIMPSVAEGIKIGIQECQHQFRGRRWNCTTVHDSLAIFGPVLDKATRESAFVHAIASAGVAFAVTRSCAEGTAAICGCSSRHQGSPGKGWKWGGCSEDIEFGGMVSREFADARENRPDARSAMNRHNNEAGRQAIASHMHLKCKCHGLSGSCEVKTCWWSQPDFRAIGDFLKDKYDSASEMVVEKHRESRGWVETLRPRYTYFKVPTERDLVYYEASPNFCEPNPETGSFGTRDRTCNVSSHGIDGCDLLCCGRGHNARAERRREKCRCVFHWCCYVSCQECTRVYDVHTCK
  
Component 2
Name:
Catenin beta-1
Synonyms:
CTNB1_HUMAN | CTNNB | CTNNB1
Type:
PROTEIN
Mol. Mass.:
85484.08
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1504364
Residue:
781
Sequence:
MATQADLMELDMAMEPDRKAAVSHWQQQSYLDSGIHSGATTTAPSLSGKGNPEEEDVDTSQVLYEWEQGFSQSFTQEQVADIDGQYAMTRAQRVRAAMFPETLDEGMQIPSTQFDAAHPTNVQRLAEPSQMLKHAVVNLINYQDDAELATRAIPELTKLLNDEDQVVVNKAAVMVHQLSKKEASRHAIMRSPQMVSAIVRTMQNTNDVETARCTAGTLHNLSHHREGLLAIFKSGGIPALVKMLGSPVDSVLFYAITTLHNLLLHQEGAKMAVRLAGGLQKMVALLNKTNVKFLAITTDCLQILAYGNQESKLIILASGGPQALVNIMRTYTYEKLLWTTSRVLKVLSVCSSNKPAIVEAGGMQALGLHLTDPSQRLVQNCLWTLRNLSDAATKQEGMEGLLGTLVQLLGSDDINVVTCAAGILSNLTCNNYKNKMMVCQVGGIEALVRTVLRAGDREDITEPAICALRHLTSRHQEAEMAQNAVRLHYGLPVVVKLLHPPSHWPLIKATVGLIRNLALCPANHAPLREQGAIPRLVQLLVRAHQDTQRRTSMGGTQQQFVEGVRMEEIVEGCTGALHILARDVHNRIVIRGLNTIPLFVQLLYSPIENIQRVAAGVLCELAQDKEAAEAIEAEGATAPLTELLHSRNEGVATYAAAVLFRMSEDKPQDYKKRLSVELTSSLFRTEPMAWNETADLGLDIGAQGEPLGYRQDDPSYRSFHSGGYGQDALGMDPMMEHEMGGHHPGADYPVDGLPDLGHAQDLMDGLPPGDSNQLAWFDTDL
  
Inhibitor
Name:
BDBM148401
Synonyms:
US9682961, 43
Type:
Small organic molecule
Emp. Form.:
C23H21FN4O2
Mol. Mass.:
404.4368
SMILES:
O[C@H]1CC[C@H](CC1)Oc1c(F)ccc2cnc(Nc3ccc4ncccc4c3)nc12 |r,wU:4.7,1.0,(8.67,-3.85,;7.34,-3.08,;6,-3.85,;4.67,-3.08,;4.67,-1.54,;6,-.77,;7.34,-1.54,;3.33,-.77,;3.33,.77,;4.67,1.54,;6,.77,;4.67,3.08,;3.33,3.85,;2,3.08,;.67,3.85,;-.67,3.08,;-.67,1.54,;-2,.77,;-3.33,1.54,;-3.33,3.08,;-4.67,3.85,;-6,3.08,;-7.34,3.85,;-8.67,3.08,;-8.67,1.54,;-7.34,.77,;-6,1.54,;-4.67,.77,;.67,.77,;2,1.54,)|
Structure:
Search PDB for entries with ligand similarity: