Reaction Details Report a problem with these data
Target
WD repeat-containing protein 5
Ligand
BDBM50318543
Substrate
n/a
Meas. Tech.
ChEMBL_633068 (CHEMBL1118768)
Ki
6300±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:
BDBM50318543
Synonyms:
Ac-RAEVHLRKS-NH2 | CHEMBL1086452
Type:
Small organic molecule
Emp. Form.:
C48H85N19O13
Mol. Mass.:
1136.308
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(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:31.32,4.4,65.65,18.19,wD:22.28,54.54,36.44,74.74,8.15,(15.73,4.7,;15.73,3.18,;17.09,2.39,;14.37,2.39,;14.37,.87,;13.07,.04,;11.73,.8,;11.73,2.33,;10.41,.04,;10.41,-1.52,;11.73,-2.28,;13.13,-1.69,;14.16,-2.84,;13.38,-4.17,;11.88,-3.82,;9.07,.81,;7.74,.04,;7.74,-1.53,;6.39,.82,;5.06,.03,;3.72,.78,;3.72,2.3,;2.4,.02,;2.4,-1.55,;3.72,-2.32,;3.72,-3.88,;2.37,-4.62,;5.04,-4.64,;1.09,.82,;-.24,.03,;-.24,-1.54,;-1.59,.8,;-1.59,2.33,;-2.93,.06,;-4.29,.79,;-4.29,2.32,;-5.61,.03,;-5.61,-1.53,;-4.29,-2.3,;-4.29,-3.87,;-2.93,-4.6,;-2.96,-6.14,;-4.33,-6.86,;-1.62,-6.86,;-6.93,.82,;-6.95,2.36,;-8.28,3.14,;-5.62,3.13,;6.39,2.34,;7.74,3.13,;5.06,3.11,;15.73,.08,;15.73,-1.48,;17.07,.84,;18.4,.06,;18.4,-1.5,;19.72,-2.27,;19.72,-3.83,;21.06,-4.59,;21,-6.13,;19.68,-6.93,;22.36,-6.91,;19.72,.83,;19.72,2.35,;21.06,.06,;22.37,.87,;22.37,2.4,;23.72,3.18,;23.72,4.71,;25.08,5.49,;25.13,7,;23.72,.09,;23.72,-1.47,;25.07,.84,;26.4,.07,;26.4,-1.49,;27.73,-2.26,;27.73,.83,;29.08,.05,;27.73,2.36,)|
Structure:
Search PDB for entries with ligand similarity: