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Target
Catenin beta-1/Protein Wnt-3a
Ligand
BDBM148368
Substrate
n/a
Meas. Tech.
Luciferase Assay
IC50
650±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:
BDBM148368
Synonyms:
US9682961, 20
Type:
Small organic molecule
Emp. Form.:
C23H25N5O2
Mol. Mass.:
403.4769
SMILES:
Cc1nc2c(C)cc(Nc3ncc4cccc(O[C@@H]5CC[C@H](O)CC5)c4n3)cc2[nH]1 |r,wU:18.17,21.21,(-9.33,1.54,;-7.79,1.54,;-6.84,2.79,;-5.38,2.31,;-4.05,3.08,;-4.05,4.62,;-2.71,2.31,;-2.71,.77,;-1.38,,;-.05,.77,;-.05,2.31,;1.29,3.08,;2.62,2.31,;3.96,3.08,;5.29,2.31,;5.29,.77,;3.96,,;3.96,-1.54,;5.29,-2.31,;5.29,-3.85,;6.62,-4.62,;7.96,-3.85,;9.29,-4.62,;7.96,-2.31,;6.62,-1.54,;2.62,.77,;1.29,,;-4.05,,;-5.38,.77,;-6.84,.29,)|
Structure:
Search PDB for entries with ligand similarity: