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Target
Catenin beta-1/Protein Wnt-3a
Ligand
BDBM148402
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:
BDBM148402
Synonyms:
US9682961, 44
Type:
Small organic molecule
Emp. Form.:
C22H22FN5O3
Mol. Mass.:
423.4402
SMILES:
OCc1n[nH]c2cc(Nc3ncc4ccc(F)c(O[C@@H]5CC[C@H](O)CC5)c4n3)ccc12 |r,wU:19.18,22.22,(-6.92,4.99,;-8.01,3.9,;-7.61,2.41,;-8.52,1.17,;-7.61,-.08,;-6.15,.4,;-4.82,-.37,;-3.48,.4,;-2.15,-.37,;-.82,.4,;-.82,1.94,;.52,2.71,;1.85,1.94,;3.19,2.71,;4.52,1.94,;4.52,.4,;5.85,-.37,;3.19,-.37,;3.19,-1.91,;4.52,-2.68,;4.52,-4.22,;5.85,-4.99,;7.19,-4.22,;8.52,-4.99,;7.19,-2.68,;5.85,-1.91,;1.85,.4,;.52,-.37,;-3.48,1.94,;-4.82,2.71,;-6.15,1.94,)|
Structure:
Search PDB for entries with ligand similarity: