Reaction Details Report a problem with these data
Target
Chromobox protein homolog 6
Ligand
BDBM50538810
Substrate
n/a
Meas. Tech.
ChEMBL_1977188 (CHEMBL4610323)
Kd
78±n/a nM
Citation
 Milosevich, N; McFarlane, J; Gignac, MC; Li, J; Brown, TM; Wilson, CR; Devorkin, L; Croft, CS; Hof, R; Paci, I; Lum, JJ; Hof, F Pan-specific and partially selective dye-labeled peptidic inhibitors of the polycomb paralog proteins. Bioorg Med Chem 28:0 (2020) [PubMed]  Article 
Target
Name:
Chromobox protein homolog 6
Synonyms:
CBX6 | CBX6_HUMAN | Chromobox protein homolog 6
Type:
PROTEIN
Mol. Mass.:
43924.51
Organism:
Homo sapiens (Human)
Description:
ChEMBL_116765
Residue:
412
Sequence:
MELSAVGERVFAAESIIKRRIRKGRIEYLVKWKGWAIKYSTWEPEENILDSRLIAAFEQKERERELYGPKKRGPKPKTFLLKARAQAEALRISDVHFSVKPSASASSPKLHSSAAVHRLKKDIRRCHRMSRRPLPRPDPQGGSPGLRPPISPFSETVRIINRKVKPREPKRNRIILNLKVIDKGAGGGGAGQGAGALARPKVPSRNRVIGKSKKFSESVLRTQIRHMKFGAFALYKPPPAPLVAPSPGKAEASAPGPGLLLAAPAAPYDARSSGSSGCPSPTPQSSDPDDTPPKLLPETVSPSAPSWREPEVLDLSLPPESAATSKRAPPEVTAAAGPAPPTAPEPAGASSEPEAGDWRPEMSPCSNVVVTDVTSNLLTVTIKEFCNPEDFEKVAAGVAGAAGGGGSIGASK
  
Inhibitor
Name:
BDBM50538810
Synonyms:
CHEMBL4647581
Type:
Small organic molecule
Emp. Form.:
C73H87BrN11O15S
Mol. Mass.:
1470.505
SMILES:
CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCC[N+](C)(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Br)cc1)C(=O)N[C@@H](CCCCNC(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(N)=O |r,wU:43.44,26.26,8.8,64.67,wD:38.39,14.14,4.3,(34.16,-23.45,;34.15,-21.92,;35.48,-21.15,;32.82,-21.15,;32.82,-19.62,;31.49,-18.85,;30.16,-19.62,;30.16,-21.17,;28.82,-18.86,;28.81,-17.32,;30.15,-16.54,;27.48,-19.63,;26.15,-18.87,;26.14,-17.33,;24.81,-19.64,;24.82,-21.19,;26.16,-21.96,;26.16,-23.5,;27.5,-24.26,;27.51,-25.8,;28.85,-26.58,;26.17,-26.59,;27.49,-27.35,;23.48,-18.88,;22.15,-19.65,;22.15,-21.2,;20.81,-18.89,;20.8,-17.35,;22.13,-16.57,;23.47,-17.35,;24.79,-16.57,;24.79,-15.02,;26.12,-14.25,;23.45,-14.26,;22.12,-15.04,;19.47,-19.67,;18.13,-18.9,;18.13,-17.36,;16.8,-19.67,;16.8,-21.22,;15.46,-18.91,;14.13,-19.68,;14.14,-21.23,;12.79,-18.92,;12.79,-17.38,;14.12,-16.6,;15.45,-17.38,;16.78,-16.6,;16.77,-15.05,;15.42,-14.29,;14.1,-15.07,;11.46,-19.7,;10.12,-18.93,;10.11,-17.39,;8.78,-19.71,;7.45,-18.94,;6.11,-19.71,;6.11,-21.26,;4.77,-22.03,;7.45,-22.03,;8.79,-21.26,;34.15,-18.85,;34.15,-17.31,;35.48,-19.61,;36.81,-18.85,;36.81,-17.31,;38.14,-16.54,;38.13,-15.01,;39.46,-14.24,;39.46,-12.7,;38.13,-11.94,;36.8,-12.71,;38.13,-10.4,;36.8,-9.64,;36.8,-8.1,;35.47,-7.34,;34.14,-8.11,;34.15,-9.65,;35.48,-10.41,;32.83,-10.42,;32.83,-11.96,;31.28,-10.41,;32.81,-7.34,;32.82,-5.8,;34.13,-5.03,;34.13,-3.5,;32.79,-2.75,;32.78,-1.21,;31.48,-3.52,;31.49,-5.04,;30.16,-5.8,;30.16,-7.33,;28.83,-8.1,;28.82,-9.64,;27.49,-10.4,;30.16,-10.41,;31.5,-9.65,;31.49,-8.11,;38.14,-19.61,;39.47,-18.84,;38.14,-21.15,)|
Structure:
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