Target
Catenin beta-1
Ligand
BDBM50014148
Substrate
n/a
Meas. Tech.
ChEMBL_1350283 (CHEMBL3267621)
Ki
1360±n/a nM
Citation
 Guo, WWisniewski, JAJi, H Hot spot-based design of small-molecule inhibitors for protein-protein interactions. Bioorg Med Chem Lett 24:2546-54 (2014) [PubMed]  Article 
Target
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:
BDBM50014148
Synonyms:
CHEMBL3260853
Type:
Small organic molecule
Emp. Form.:
C33H33ClN4O9
Mol. Mass.:
665.09
SMILES:
COC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)Cc1cc2cc(Cl)ccc2[nH]1 |r|
Structure:
Search PDB for entries with ligand similarity: