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Target
WD repeat-containing protein 5
Ligand
BDBM50318533
Substrate
n/a
Meas. Tech.
ChEMBL_633069 (CHEMBL1118769)
IC50
14±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:
BDBM50318533
Synonyms:
(7S,24S,27S,30S,33S,36S,39S,42S)-36-((1H-imidazol-5-yl)methyl)-27-(4-aminobutyl)-42-((S)-2-((S)-2-((S)-2-aminopropanamido)-5-guanidinopentanamido)propanamido)-7-carbamoyl-1-(2-carboxy-6-(6-hydroxy-3-oxo-3H-xanthen-9-yl)phenyl)-30-(3-guanidinopropyl)-24-(hydroxymethyl)-33-isobutyl-39-isopropyl-1,9,16,23,26,29,32,35,38,41-decaoxo-2,8,15,22,25,28,31,34,37,40-decaazapentatetracontan-45-oic acid | CHEMBL1082289
Type:
Small organic molecule
Emp. Form.:
C90H134N24O23
Mol. Mass.:
1920.174
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(=O)NCCCCCC(=O)NCCCCCC(=O)N[C@@H](CCCCNC(=O)c1c(cccc1-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(O)=O)C(N)=O |r,wU:22.28,59.59,79.79,8.15,36.44,101.101,wD:47.48,70.70,18.19,4.4,31.32,(6.94,-17.38,;6.96,-15.84,;8.3,-15.08,;5.64,-15.06,;5.65,-13.52,;4.33,-12.73,;2.99,-13.48,;2.97,-15.02,;1.65,-12.7,;1.67,-11.16,;3.02,-10.4,;4.38,-11.03,;5.45,-9.9,;4.69,-8.56,;3.18,-8.87,;.31,-13.46,;-1.02,-12.69,;-1.01,-11.15,;-2.38,-13.45,;-3.69,-12.64,;-5.03,-13.4,;-5.05,-14.94,;-6.35,-12.62,;-6.33,-11.08,;-5.01,-10.32,;-4.99,-8.78,;-6.27,-7.98,;-3.65,-8.02,;-7.69,-13.38,;-9.03,-12.62,;-9.01,-11.08,;-10.37,-13.38,;-10.38,-14.92,;-11.69,-12.58,;-13.03,-13.34,;-13.05,-14.88,;-14.35,-12.56,;-14.33,-11.02,;-13,-10.26,;-12.98,-8.72,;-11.65,-7.96,;-11.66,-6.42,;-12.95,-5.63,;-10.28,-5.66,;-15.69,-13.3,;-17.02,-12.53,;-17.01,-10.99,;-18.37,-13.29,;-18.38,-14.83,;-19.68,-12.49,;-21.02,-13.23,;-22.34,-12.43,;-21.06,-14.77,;-2.39,-14.99,;-1.05,-15.77,;-3.74,-15.74,;6.98,-12.76,;7,-11.22,;8.32,-13.52,;9.67,-12.77,;9.68,-11.23,;11.01,-10.47,;11.03,-8.93,;12.37,-8.17,;12.38,-6.63,;11.08,-5.83,;13.74,-5.86,;11,-13.54,;10.97,-15.08,;12.34,-12.79,;13.66,-13.58,;13.65,-15.12,;14.98,-15.9,;14.96,-17.44,;16.28,-18.22,;16.28,-19.76,;15,-12.82,;15.01,-11.28,;16.34,-13.59,;17.68,-12.84,;17.69,-11.3,;19.05,-10.53,;19,-13.62,;18.99,-15.16,;20.34,-12.86,;21.67,-13.64,;23.01,-12.89,;24.33,-13.68,;25.67,-12.92,;27,-13.7,;28.34,-12.94,;28.36,-11.4,;29.67,-13.72,;31.01,-12.97,;32.34,-13.76,;33.68,-13,;35,-13.78,;36.34,-13.03,;37.68,-13.8,;37.68,-15.35,;39.01,-13.03,;39.01,-11.49,;37.7,-10.72,;37.7,-9.16,;36.39,-8.4,;36.39,-6.84,;35.05,-6.07,;35.04,-4.53,;36.39,-3.75,;33.72,-3.78,;32.38,-4.5,;31.05,-3.72,;31.08,-2.17,;32.42,-1.41,;33.74,-2.22,;35.29,-.96,;34.79,.49,;33.28,.79,;32.78,2.24,;33.78,3.39,;33.29,4.85,;35.29,3.11,;35.8,1.67,;37.32,1.37,;37.82,-.08,;39.31,-.35,;39.83,-1.79,;41.34,-2.07,;38.82,-2.96,;37.31,-2.69,;36.82,-1.24,;32.38,-6.04,;31.05,-6.83,;33.7,-6.81,;40.37,-10.71,;40.38,-9.2,;41.72,-11.49,)|
Structure:
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