Reaction Details Report a problem with these data
Target
WD repeat-containing protein 5
Ligand
BDBM50605328
Substrate
n/a
Meas. Tech.
ChEMBL_2250997 (CHEMBL5165207)
Ki
0.210000±n/a nM
Citation
 Teuscher, KB; Meyers, KM; Wei, Q; Mills, JJ; Tian, J; Alvarado, J; Sai, J; Van Meveren, M; South, TM; Rietz, TA; Zhao, B; Moore, WJ; Stott, GM; Tansey, WP; Lee, T; Fesik, SW Discovery of Potent Orally Bioavailable WD Repeat Domain 5 (WDR5) Inhibitors Using a Pharmacophore-Based Optimization. J Med Chem 65:6287-6312 (2022) [PubMed] 
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:
BDBM50605328
Synonyms:
CHEMBL5199310
Type:
Small organic molecule
Emp. Form.:
C29H34N6O3
Mol. Mass.:
514.6187
SMILES:
COc1cc(CN2CCc3c(cc(Cn4ccn(C)c4=N)cc3C2=O)-c2c(C)nn(C)c2C)cc(OC)c1 |(-7.99,2,;-6.65,1.23,;-6.65,-.31,;-5.32,-1.07,;-5.32,-2.62,;-3.98,-3.39,;-2.65,-2.62,;-2.65,-1.08,;-1.32,-.31,;.02,-1.08,;1.35,-.31,;2.67,-1.08,;2.67,-2.61,;4,-3.38,;5.34,-2.61,;5.5,-1.08,;7,-.76,;7.77,-2.09,;9.31,-2.09,;6.74,-3.24,;7.14,-4.73,;1.35,-3.38,;.02,-2.62,;-1.32,-3.39,;-1.32,-4.93,;1.35,1.23,;2.59,2.13,;4.08,1.73,;2.12,3.6,;.58,3.6,;-.19,4.93,;.1,2.13,;-1.39,1.73,;-6.65,-3.39,;-7.98,-2.62,;-9.31,-3.39,;-9.31,-4.93,;-7.98,-1.08,)|
Structure:
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