Reaction Details Report a problem with these data
Target
Chromobox protein homolog 6
Ligand
BDBM50538814
Substrate
n/a
Meas. Tech.
ChEMBL_1977188 (CHEMBL4610323)
Kd
1000±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:
BDBM50538814
Synonyms:
CHEMBL4640186
Type:
Small organic molecule
Emp. Form.:
C73H93N12O17S
Mol. Mass.:
1442.654
SMILES:
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCNC(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(N)=O |r,wU:13.13,4.3,51.53,66.68,wD:8.8,39.41,57.59,24.25,(24.25,-45.3,;24.26,-46.84,;25.6,-47.6,;22.93,-47.61,;22.94,-49.16,;21.6,-49.94,;20.25,-49.17,;20.25,-47.62,;18.91,-49.95,;18.92,-51.49,;17.57,-49.18,;16.24,-49.96,;16.25,-51.5,;14.9,-49.19,;14.89,-47.64,;16.23,-46.86,;17.56,-47.64,;18.9,-46.86,;18.89,-45.31,;17.54,-44.55,;16.21,-45.32,;13.56,-49.97,;12.21,-49.2,;12.21,-47.65,;10.88,-49.98,;10.89,-51.52,;9.56,-52.3,;8.23,-51.53,;6.9,-52.3,;6.9,-53.84,;8.25,-54.6,;9.57,-53.83,;9.55,-49.22,;9.54,-47.68,;8.2,-46.91,;10.87,-46.9,;24.28,-49.93,;24.29,-51.47,;25.62,-49.15,;26.95,-49.92,;26.96,-51.46,;28.3,-52.24,;28.31,-53.78,;29.65,-54.55,;29.66,-56.1,;31,-56.87,;28.32,-56.88,;29.65,-57.64,;28.29,-49.14,;28.29,-47.59,;29.64,-49.91,;30.98,-49.13,;30.97,-47.58,;32.31,-46.8,;32.32,-49.9,;32.33,-51.44,;33.66,-49.12,;34.99,-49.89,;34.99,-51.43,;36.33,-52.2,;36.33,-53.74,;37.67,-54.51,;35,-54.51,;36.33,-49.12,;36.32,-47.58,;37.66,-49.89,;38.99,-49.12,;38.99,-47.58,;40.32,-46.8,;40.32,-45.26,;41.65,-44.49,;41.65,-42.95,;40.32,-42.18,;38.99,-42.96,;40.32,-40.64,;38.98,-39.88,;38.99,-38.34,;37.65,-37.57,;36.32,-38.34,;36.33,-39.89,;37.66,-40.65,;35,-40.66,;35,-42.2,;33.45,-40.65,;34.98,-37.57,;34.99,-36.03,;36.31,-35.26,;36.3,-33.72,;34.96,-32.96,;34.95,-31.43,;33.65,-33.74,;33.66,-35.27,;32.32,-36.03,;32.32,-37.56,;30.98,-38.33,;30.98,-39.87,;29.64,-40.64,;32.32,-40.65,;33.67,-39.89,;33.66,-38.34,;40.33,-49.88,;41.66,-49.11,;40.33,-51.42,)|
Structure:
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