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Target
Catenin beta-1/Protein Wnt-3a
Ligand
BDBM148359
Substrate
n/a
Meas. Tech.
Luciferase Assay
IC50
<300±n/a nM
Citation
 Moriyama, H; Sawa, M; Uno, Y; Kashimoto, S; Yamada, 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:
BDBM148359
Synonyms:
US9682961, 13
Type:
Small organic molecule
Emp. Form.:
C26H30N6O2
Mol. Mass.:
458.5554
SMILES:
O[C@H]1CC[C@H](CC1)Oc1cccc2cnc(Nc3ccc4[nH]c(CN5CCCC5)nc4c3)nc12 |r,wU:4.7,1.0,(10.68,-3.85,;9.35,-3.08,;8.02,-3.85,;6.68,-3.08,;6.68,-1.54,;8.02,-.77,;9.35,-1.54,;5.35,-.77,;5.35,.77,;6.68,1.54,;6.68,3.08,;5.35,3.85,;4.01,3.08,;2.68,3.85,;1.35,3.08,;1.35,1.54,;.01,.77,;-1.32,1.54,;-1.32,3.08,;-2.65,3.85,;-3.99,3.08,;-5.45,3.56,;-6.36,2.31,;-7.9,2.31,;-8.67,.98,;-10.21,.98,;-10.68,-.49,;-9.44,-1.39,;-8.19,-.49,;-5.45,1.06,;-3.99,1.54,;-2.65,.77,;2.68,.77,;4.01,1.54,)|
Structure:
Search PDB for entries with ligand similarity: