Reaction Details Report a problem with these data
Target
WD repeat-containing protein 5
Ligand
BDBM50318541
Substrate
n/a
Meas. Tech.
ChEMBL_633068 (CHEMBL1118768)
IC50
20±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:
BDBM50318541
Synonyms:
Ac-ARAEVHLRKS-NH2 | CHEMBL1086450
Type:
Small organic molecule
Emp. Form.:
C51H90N20O14
Mol. Mass.:
1207.3859
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(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(N)=O |r,wU:31.32,47.48,4.4,70.70,18.19,wD:22.28,59.59,36.44,79.79,8.15,(21.79,-25.89,;21.79,-27.41,;23.15,-28.2,;20.43,-28.2,;20.43,-29.72,;19.13,-30.55,;17.79,-29.79,;17.79,-28.26,;16.47,-30.55,;16.47,-32.11,;17.79,-32.87,;19.19,-32.28,;20.22,-33.43,;19.44,-34.76,;17.94,-34.41,;15.13,-29.78,;13.8,-30.55,;13.8,-32.12,;12.45,-29.77,;11.12,-30.56,;9.78,-29.81,;9.78,-28.28,;8.46,-30.57,;8.46,-32.14,;9.78,-32.91,;9.78,-34.47,;8.43,-35.21,;11.1,-35.23,;7.14,-29.77,;5.82,-30.56,;5.82,-32.13,;4.47,-29.78,;4.47,-28.26,;3.12,-30.53,;1.77,-29.8,;1.77,-28.27,;.45,-30.56,;.45,-32.12,;1.77,-32.89,;1.77,-34.46,;3.12,-35.19,;3.1,-36.73,;1.73,-37.45,;4.43,-37.46,;-.87,-29.77,;-2.2,-30.53,;-2.2,-32.1,;-3.55,-29.75,;-3.55,-28.23,;-4.88,-30.52,;-6.21,-29.75,;-7.54,-30.52,;-6.21,-28.21,;12.45,-28.25,;13.8,-27.46,;11.12,-27.48,;21.79,-30.51,;21.79,-32.07,;23.13,-29.75,;24.46,-30.52,;24.46,-32.09,;25.78,-32.86,;25.78,-34.42,;27.12,-35.18,;27.06,-36.72,;25.73,-37.52,;28.41,-37.5,;25.78,-29.76,;25.78,-28.24,;27.12,-30.53,;28.43,-29.72,;28.43,-28.19,;29.78,-27.41,;29.78,-25.88,;31.14,-25.1,;31.19,-23.59,;29.78,-30.5,;29.78,-32.06,;31.13,-29.75,;32.46,-30.52,;32.46,-32.08,;33.78,-32.85,;33.78,-29.76,;35.14,-30.53,;33.78,-28.23,)|
Structure:
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