Reaction Details Report a problem with these data
Target
Chromobox protein homolog 1
Ligand
BDBM50538809
Substrate
n/a
Meas. Tech.
ChEMBL_1977185 (CHEMBL4610320)
Kd
47000±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:
BDBM50538809
Synonyms:
CHEMBL4637043
Type:
Small organic molecule
Emp. Form.:
C63H77N10O13S
Mol. Mass.:
1214.409
SMILES:
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCNC(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(N)=O |r,wU:13.13,4.3,81.87,wD:8.8,69.75,24.25,(37.52,-27.88,;37.52,-29.42,;38.86,-30.2,;36.18,-30.2,;36.18,-31.75,;34.84,-32.51,;33.5,-31.75,;33.5,-30.2,;32.16,-32.51,;32.16,-34.06,;30.82,-31.75,;29.48,-32.51,;29.48,-34.06,;28.14,-31.75,;28.14,-30.2,;29.48,-29.42,;30.82,-30.2,;32.16,-29.43,;32.16,-27.88,;30.81,-27.11,;29.48,-27.88,;26.8,-32.51,;25.46,-31.75,;25.46,-30.2,;24.12,-32.51,;24.12,-34.05,;25.45,-34.82,;25.44,-36.36,;26.77,-37.13,;28.11,-36.37,;28.11,-34.82,;26.78,-34.06,;22.79,-31.75,;21.46,-32.51,;21.46,-34.05,;20.13,-31.75,;18.79,-32.51,;17.46,-31.75,;16.13,-32.51,;16.13,-34.05,;14.8,-31.75,;13.47,-32.51,;13.47,-34.04,;12.14,-34.82,;10.8,-34.05,;10.8,-32.51,;12.13,-31.74,;9.47,-31.74,;9.47,-30.2,;8.69,-33.06,;9.47,-34.82,;9.48,-36.36,;10.8,-37.13,;10.81,-38.66,;9.47,-39.44,;9.47,-40.97,;8.14,-38.66,;8.14,-37.13,;6.8,-36.33,;6.81,-34.82,;5.49,-34.06,;5.49,-32.54,;4.15,-31.78,;6.81,-31.77,;8.13,-32.53,;8.13,-34.06,;37.52,-32.51,;37.52,-34.06,;38.86,-31.75,;40.2,-32.51,;40.2,-34.06,;41.54,-34.84,;41.54,-36.38,;42.88,-37.15,;42.88,-38.7,;44.22,-39.48,;41.54,-39.48,;42.86,-40.24,;41.54,-31.75,;41.54,-30.2,;42.88,-32.51,;44.22,-31.75,;44.22,-30.2,;45.55,-29.42,;45.55,-32.51,;46.89,-31.75,;45.55,-34.06,)|
Structure:
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