Reaction Details Report a problem with these data
Target
Chromobox protein homolog 7
Ligand
BDBM50538812
Substrate
n/a
Meas. Tech.
ChEMBL_1977189 (CHEMBL4610324)
Kd
160±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 7
Synonyms:
CBX7 | CBX7_HUMAN | Chromobox protein homolog 7 | Chromobox protein homolog 7 (CBX7)
Type:
Protein
Mol. Mass.:
28351.76
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
251
Sequence:
MELSAIGEQVFAVESIRKKRVRKGKVEYLVKWKGWPPKYSTWEPEEHILDPRLVMAYEEKEERDRASGYRKRGPKPKRLLLQRLYSMDLRSSHKAKGKEKLCFSLTCPLGSGSPEGVVKAGAPELVDKGPLVPTLPFPLRKPRKAHKYLRLSRKKFPPRGPNLESHSHRRELFLQEPPAPDVLQAAGEWEPAAQPPEEEADADLAEGPPPWTPALPSSEVTVTDITANSITVTFREAQAAEGFFRDRSGKF
  
Inhibitor
Name:
BDBM50538812
Synonyms:
CHEMBL4635096
Type:
Small organic molecule
Emp. Form.:
C71H87BrN11O16S
Mol. Mass.:
1462.483
SMILES:
CC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Br)cc1)C(=O)N[C@@H](C1CCCC1)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:6.6,27.29,48.51,63.66,wD:2.1,36.39,54.57,(19.36,-51.16,;20.69,-50.39,;20.68,-48.85,;19.34,-48.08,;18.02,-48.86,;18.02,-50.4,;16.68,-48.09,;16.67,-46.55,;18.01,-45.77,;19.33,-46.55,;20.66,-45.77,;20.66,-44.23,;19.31,-43.46,;17.99,-44.24,;15.34,-48.87,;14.01,-48.1,;14,-46.56,;12.67,-48.88,;11.33,-48.11,;10,-48.88,;10,-50.43,;8.66,-51.2,;11.34,-51.2,;12.68,-50.43,;22.02,-48.07,;22.01,-46.53,;23.36,-48.84,;24.69,-48.06,;24.68,-46.52,;25.92,-45.61,;25.44,-44.14,;23.9,-44.15,;23.43,-45.62,;26.03,-48.83,;26.03,-50.37,;27.36,-48.05,;28.69,-48.81,;28.7,-50.36,;30.04,-51.13,;30.05,-52.67,;31.38,-53.43,;31.39,-54.97,;32.73,-55.74,;30.06,-55.75,;31.38,-56.51,;30.03,-48.04,;30.02,-46.5,;31.37,-48.81,;32.7,-48.03,;32.7,-46.49,;34.03,-45.71,;34.04,-48.8,;34.05,-50.34,;35.37,-48.02,;36.7,-48.79,;36.71,-50.32,;38.04,-51.09,;38.04,-52.62,;39.37,-53.39,;36.71,-53.39,;38.03,-48.02,;38.03,-46.49,;39.36,-48.79,;40.69,-48.02,;40.69,-46.48,;42.01,-45.71,;42.01,-44.18,;43.34,-43.41,;43.34,-41.88,;42.01,-41.11,;40.68,-41.88,;42.01,-39.58,;40.68,-38.81,;40.68,-37.28,;39.35,-36.51,;38.03,-37.28,;38.03,-38.82,;39.36,-39.58,;36.71,-39.6,;36.71,-41.13,;35.17,-39.58,;36.69,-36.52,;36.7,-34.98,;38.02,-34.21,;38.01,-32.68,;36.67,-31.92,;36.66,-30.39,;35.36,-32.7,;35.37,-34.22,;34.04,-34.97,;34.04,-36.51,;32.71,-37.27,;32.7,-38.81,;31.37,-39.57,;34.04,-39.58,;35.38,-38.82,;35.37,-37.28,;42.02,-48.78,;43.35,-48.01,;42.02,-50.32,)|
Structure:
Search PDB for entries with ligand similarity: