Reaction Details Report a problem with these data
Target
Chromobox protein homolog 1
Ligand
BDBM50538811
Substrate
n/a
Meas. Tech.
ChEMBL_1977185 (CHEMBL4610320)
Kd
180000±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 1
Synonyms:
CBX | CBX1 | CBX1_HUMAN | HP1 beta | HP1Hsbeta | Heterochromatin protein 1 homolog beta | Heterochromatin protein p25 | M31 | Modifier 1 protein | p25beta
Type:
PROTEIN
Mol. Mass.:
21405.43
Organism:
Homo sapiens (Human)
Description:
ChEMBL_103989
Residue:
185
Sequence:
MGKKQNKKKVEEVLEEEEEEYVVEKVLDRRVVKGKVEYLLKWKGFSDEDNTWEPEENLDCPDLIAEFLQSQKTAHETDKSEGGKRKADSDSEDKGEESKPKKKKEESEKPRGFARGLEPERIIGATDSSGELMFLMKWKNSDEADLVPAKEANVKCPQVVISFYEERLTWHSYPSEDDDKKDDKN
  
Inhibitor
Name:
BDBM50538811
Synonyms:
CHEMBL4640223
Type:
Small organic molecule
Emp. Form.:
C73H85BrN11O16S
Mol. Mass.:
1484.489
SMILES:
CC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Br)cc1)C(=O)N[C@@H](Cc1ccccc1)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:6.6,27.29,50.53,65.68,wD:2.1,38.41,56.59,(17.88,-23.34,;19.21,-22.57,;19.2,-21.02,;17.86,-20.26,;16.54,-21.04,;16.54,-22.58,;15.2,-20.27,;15.19,-18.73,;16.52,-17.95,;17.85,-18.73,;19.18,-17.95,;19.18,-16.4,;17.83,-15.64,;16.51,-16.42,;13.86,-21.04,;12.52,-20.28,;12.52,-18.74,;11.19,-21.05,;9.85,-20.29,;8.52,-21.06,;8.51,-22.61,;7.18,-23.38,;9.85,-23.38,;11.19,-22.61,;20.54,-20.25,;20.53,-18.71,;21.88,-21.01,;23.21,-20.24,;23.2,-18.7,;24.54,-17.92,;25.87,-18.7,;27.2,-17.92,;27.19,-16.37,;25.85,-15.61,;24.52,-16.39,;24.55,-21,;24.56,-22.55,;25.88,-20.23,;27.22,-20.99,;27.22,-22.54,;28.56,-23.31,;28.57,-24.85,;29.91,-25.61,;29.91,-27.16,;31.25,-27.93,;28.58,-27.94,;29.9,-28.7,;28.55,-20.22,;28.54,-18.68,;29.89,-20.98,;31.22,-20.21,;31.22,-18.67,;32.55,-17.89,;32.56,-20.97,;32.57,-22.52,;33.9,-20.2,;35.23,-20.97,;35.23,-22.5,;36.56,-23.27,;36.56,-24.8,;37.89,-25.57,;35.23,-25.57,;36.56,-20.2,;36.55,-18.66,;37.89,-20.96,;39.21,-20.2,;39.21,-18.66,;40.54,-17.89,;40.54,-16.36,;41.87,-15.59,;41.87,-14.05,;40.54,-13.29,;39.21,-14.06,;40.53,-11.75,;39.2,-10.99,;39.21,-9.45,;37.88,-8.69,;36.55,-9.46,;36.56,-11,;37.89,-11.76,;35.23,-11.77,;35.24,-13.31,;33.69,-11.76,;35.22,-8.69,;35.22,-7.15,;36.54,-6.38,;36.53,-4.85,;35.2,-4.1,;35.18,-2.56,;33.89,-4.87,;33.9,-6.39,;32.57,-7.15,;32.57,-8.68,;31.23,-9.44,;31.23,-10.99,;29.9,-11.75,;32.57,-11.76,;33.91,-11,;33.9,-9.46,;40.54,-20.96,;41.87,-20.19,;40.55,-22.5,)|
Structure:
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