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Target
Catenin beta-1/Protein Wnt-3a
Ligand
BDBM148376
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:
BDBM148376
Synonyms:
US9682961, 25
Type:
Small organic molecule
Emp. Form.:
C23H25N5O3
Mol. Mass.:
419.4763
SMILES:
COCc1nc2ccc(Nc3ncc4cccc(O[C@@H]5CC[C@H](O)CC5)c4n3)cc2[nH]1 |r,wU:19.18,22.22,(-8.91,-.36,;-9.68,.98,;-8.91,2.31,;-7.37,2.31,;-6.46,3.56,;-5,3.08,;-3.66,3.85,;-2.33,3.08,;-2.33,1.54,;-.99,.77,;.34,1.54,;.34,3.08,;1.67,3.85,;3.01,3.08,;4.34,3.85,;5.67,3.08,;5.67,1.54,;4.34,.77,;4.34,-.77,;5.67,-1.54,;5.67,-3.08,;7.01,-3.85,;8.34,-3.08,;9.68,-3.85,;8.34,-1.54,;7.01,-.77,;3.01,1.54,;1.67,.77,;-3.66,.77,;-5,1.54,;-6.46,1.06,)|
Structure:
Search PDB for entries with ligand similarity: