Reaction Details Report a problem with these data
Target
WD repeat-containing protein 5
Ligand
BDBM50428255
Substrate
n/a
Meas. Tech.
ChEMBL_946434 (CHEMBL2339614)
IC50
6000±n/a nM
Citation
 Bolshan, Y; Getlik, M; Kuznetsova, E; Wasney, GA; Hajian, T; Poda, G; Nguyen, KT; Wu, H; Dombrovski, L; Dong, A; Senisterra, G; Schapira, M; Arrowsmith, CH; Brown, PJ; Al-Awar, R; Vedadi, M; Smil, D Synthesis, Optimization, and Evaluation of Novel Small Molecules as Antagonists of WDR5-MLL Interaction. ACS Med Chem Lett 4:353-7 (2013) [PubMed]  Article 
Target
Name:
WD repeat-containing protein 5
Synonyms:
BIG3 | WD repeat-containing protein 5 | WD repeat-containing protein 5 (WDR5) | WD repeat-containing protein 5 (WRD5) | WDR5 | WDR5_HUMAN
Type:
Protein
Mol. Mass.:
36597.13
Organism:
Homo sapiens (Human)
Description:
P61964
Residue:
334
Sequence:
MATEEKKPETEAARAQPTPSSSATQSKPTPVKPNYALKFTLAGHTKAVSSVKFSPNGEWLASSSADKLIKIWGAYDGKFEKTISGHKLGISDVAWSSDSNLLVSASDDKTLKIWDVSSGKCLKTLKGHSNYVFCCNFNPQSNLIVSGSFDESVRIWDVKTGKCLKTLPAHSDPVSAVHFNRDGSLIVSSSYDGLCRIWDTASGQCLKTLIDDDNPPVSFVKFSPNGKYILAATLDNTLKLWDYSKGKCLKTYTGHKNEKYCIFANFSVTGGKWIVSGSEDNLVYIWNLQTKEIVQKLQGHTDVVISTACHPTENIIASAALENDKTIKLWKSDC
  
Inhibitor
Name:
BDBM50428255
Synonyms:
CHEMBL1231559
Type:
Small organic molecule
Emp. Form.:
C22H14O4
Mol. Mass.:
342.3442
SMILES:
OC(=O)c1ccc2ccccc2c1-c1c(ccc2ccccc12)C(O)=O |(-4.26,1.44,;-3.56,.84,;-3.56,-.7,;-1.59,1.44,;-1.59,2.98,;-.26,3.75,;1.07,2.98,;2.41,3.75,;3.74,2.98,;3.74,1.44,;2.41,.67,;1.07,1.44,;-.26,.67,;-.26,-.87,;-1.59,-1.64,;-1.59,-3.18,;-.26,-3.95,;1.07,-3.18,;2.41,-3.95,;3.74,-3.18,;3.74,-1.64,;2.41,-.87,;1.07,-1.64,;-2.93,-.87,;-4.26,-1.64,;-2.93,.67,)|
Structure:
Search PDB for entries with ligand similarity: