Reaction Details | |||
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Target | WD repeat-containing protein 5 | ||
Ligand | BDBM50318545 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_633068 (CHEMBL1118768) | ||
IC50 | 400±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 Chem53:5179-85 (2010) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
WD repeat-containing protein 5 | |||
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: |
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BDBM50318545 | |||
n/a | |||
Name | BDBM50318545 | ||
Synonyms: | Ac-ARAEVH-NH2 | CHEMBL1086454 | ||
Type | Small organic molecule | ||
Emp. Form. | C30H50N12O9 | ||
Mol. Mass. | 722.793 | ||
SMILES | CC(C)[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(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O |r,wU:16.16,32.32,3.3,wD:7.12,21.28,41.40,(13.83,-21.67,;12.48,-22.46,;11.15,-21.7,;12.48,-23.98,;11.14,-24.75,;9.8,-24,;9.8,-22.48,;8.48,-24.77,;8.48,-26.33,;9.8,-27.1,;9.8,-28.66,;8.45,-29.41,;11.12,-29.42,;7.16,-23.97,;5.84,-24.76,;5.84,-26.33,;4.48,-23.98,;4.48,-22.45,;3.15,-24.75,;1.82,-23.98,;1.82,-22.45,;.5,-24.74,;.5,-26.3,;1.82,-27.07,;1.82,-28.64,;3.17,-29.37,;3.17,-30.91,;1.8,-31.65,;4.49,-31.62,;-.81,-23.94,;-2.13,-24.74,;-2.13,-26.28,;-3.46,-23.97,;-3.46,-22.43,;-4.8,-24.74,;-6.13,-23.96,;-7.46,-24.73,;-6.13,-22.42,;13.83,-24.76,;13.83,-26.33,;15.15,-23.97,;16.48,-24.75,;16.48,-26.32,;17.81,-27.08,;19.21,-26.49,;20.23,-27.64,;19.45,-28.97,;17.95,-28.61,;17.81,-23.99,;19.16,-24.78,;17.81,-22.46,)| | ||
Structure |