Reaction Details Report a problem with these data
Target
WD repeat-containing protein 5
Ligand
BDBM50318544
Substrate
n/a
Meas. Tech.
ChEMBL_633068 (CHEMBL1118768)
IC50
160±n/a nM
Citation
 Karatas, H; Townsend, EC; Bernard, D; Dou, Y; Wang, S Analysis of the binding of mixed lineage leukemia 1 (MLL1) and histone 3 peptides to WD repeat domain 5 (WDR5) for the design of inhibitors of the MLL1-WDR5 interaction. J Med Chem 53:5179-85 (2010) [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:
BDBM50318544
Synonyms:
Ac-ARAEVHL-NH2 | CHEMBL1086453
Type:
Small organic molecule
Emp. Form.:
C36H61N13O10
Mol. Mass.:
835.9506
SMILES:
CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(C)=O)C(C)C)C(N)=O |r,wU:31.32,47.48,18.19,4.4,wD:22.28,36.44,8.15,(22.77,-9.08,;22.77,-10.61,;24.13,-11.4,;21.42,-11.4,;21.42,-12.92,;20.09,-13.71,;18.76,-12.93,;18.76,-11.41,;17.43,-13.7,;17.43,-15.26,;18.76,-16.02,;20.16,-15.43,;21.18,-16.58,;20.4,-17.91,;18.9,-17.55,;16.11,-12.91,;14.79,-13.71,;14.79,-15.28,;13.43,-12.93,;12.1,-13.69,;10.75,-12.94,;10.75,-11.42,;9.43,-13.71,;9.43,-15.28,;10.75,-16.04,;10.75,-17.6,;9.39,-18.35,;12.08,-18.36,;8.11,-12.91,;6.79,-13.71,;6.79,-15.28,;5.44,-12.93,;5.44,-11.4,;4.1,-13.69,;2.77,-12.92,;2.77,-11.4,;1.45,-13.69,;1.45,-15.25,;2.77,-16.01,;2.77,-17.58,;4.1,-18.35,;4.1,-19.89,;2.71,-20.64,;5.4,-20.61,;.14,-12.88,;-1.17,-13.69,;-1.17,-15.23,;-2.5,-12.92,;-2.5,-11.38,;-3.84,-13.69,;-5.17,-12.91,;-6.51,-13.68,;-5.17,-11.37,;13.43,-11.41,;14.79,-10.62,;12.11,-10.64,;22.77,-13.71,;24.1,-12.94,;22.77,-15.27,)|
Structure:
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