Ki Summary

Reaction Details

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Target

WD repeat-containing protein 5

Ligand

BDBM50318540

Substrate

n/a

Meas. Tech.

ChEMBL_633068 (CHEMBL1118768)

200±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

More Info.:

Get all data from this article, Assay Method

Target

Name:

WD repeat-containing protein 5

Synonyms:

Type:

Protein

Mol. Mass.:

36597.13

Organism:

Homo sapiens (Human)

Description:

P61964

Residue:

334

Sequence:

MATEEKKPETEAARAQPTPSSSATQSKPTPVKPNYALKFTLAGHTKAVSSVKFSPNGEWLASSSADKLIKIWGAYDGKFEKTISGHKLGISDVAWSSDSNLLVSASDDKTLKIWDVSSGKCLKTLKGHSNYVFCCNFNPQSNLIVSGSFDESVRIWDVKTGKCLKTLPAHSDPVSAVHFNRDGSLIVSSSYDGLCRIWDTASGQCLKTLIDDDNPPVSFVKFSPNGKYILAATLDNTLKLWDYSKGKCLKTYTGHKNEKYCIFANFSVTGGKWIVSGSEDNLVYIWNLQTKEIVQKLQGHTDVVISTACHPTENIIASAALENDKTIKLWKSDC

Inhibitor

Name:

BDBM50318540

Synonyms:

Ac-SARAEVHLRKS-NH2 | CHEMBL1086449

Type:

Small organic molecule

Emp. Form.:

C54H95N21O16

Mol. Mass.:

1294.4632

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(=O)[C@H](CO)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:31.32,47.48,4.4,76.76,18.19,wD:52.55,8.15,36.44,22.28,65.65,85.85,(23.49,-10.14,;23.49,-11.67,;24.85,-12.45,;22.14,-12.45,;22.14,-13.98,;20.81,-14.77,;19.49,-13.98,;19.49,-12.46,;18.16,-14.75,;18.16,-16.31,;19.49,-17.07,;20.89,-16.48,;21.91,-17.63,;21.13,-18.96,;19.63,-18.6,;16.83,-13.96,;15.5,-14.74,;15.5,-16.31,;14.15,-13.96,;12.81,-14.73,;11.48,-13.96,;11.48,-12.43,;10.16,-14.72,;10.16,-16.29,;11.48,-17.05,;11.48,-18.61,;10.11,-19.38,;12.81,-19.38,;8.84,-13.94,;7.53,-14.75,;7.53,-16.32,;6.17,-13.97,;6.17,-12.45,;4.82,-14.7,;3.47,-13.95,;3.47,-12.42,;2.16,-14.71,;2.16,-16.27,;3.47,-17.03,;3.47,-18.6,;4.82,-19.36,;4.86,-20.9,;3.46,-21.65,;6.16,-21.6,;.83,-13.92,;-.47,-14.75,;-.47,-16.32,;-1.82,-13.96,;-1.82,-12.44,;-3.16,-14.72,;-4.5,-13.96,;-4.5,-12.44,;-5.83,-14.73,;-5.83,-16.29,;-4.56,-16.95,;-7.17,-13.96,;-8.5,-14.73,;-9.83,-13.96,;-8.5,-16.27,;14.15,-12.43,;15.5,-11.65,;12.82,-11.67,;23.49,-14.76,;23.49,-16.33,;24.81,-13.97,;26.15,-14.73,;26.15,-16.3,;27.47,-17.07,;27.47,-18.63,;28.79,-19.41,;28.8,-20.95,;27.45,-21.75,;30.13,-21.73,;27.47,-13.97,;27.47,-12.44,;28.8,-14.74,;30.13,-13.97,;30.13,-12.45,;31.49,-11.66,;31.49,-10.14,;32.84,-9.36,;32.83,-7.84,;31.49,-14.76,;31.49,-16.32,;32.82,-13.99,;34.16,-14.75,;34.16,-16.31,;35.48,-17.08,;35.48,-13.99,;36.84,-14.76,;35.48,-12.46,)|

Structure: