Ki Summary

Reaction Details

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Target

Chromobox protein homolog 5

Ligand

BDBM50194254

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1616626 (CHEMBL3858695)

IC50

>60000±n/a nM

Citation

Stuckey, JI; Simpson, C; Norris-Drouin, JL; Cholensky, SH; Lee, J; Pasca, R; Cheng, N; Dickson, BM; Pearce, KH; Frye, SV; James, LI Structure-Activity Relationships and Kinetic Studies of Peptidic Antagonists of CBX Chromodomains. J Med Chem59:8913-8923 (2016) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Chromobox protein homolog 5

Name:

Chromobox protein homolog 5

Synonyms:

Type:

PROTEIN

Mol. Mass.:

22222.71

Organism:

Homo sapiens (Human)

Description:

ChEMBL_116826

Residue:

191

Sequence:

MGKKTKRTADSSSSEDEEEYVVEKVLDRRVVKGQVEYLLKWKGFSEEHNTWEPEKNLDCP
ELISEFMKKYKKMKEGENNKPREKSESNKRKSNFSNSADDIKSKKKREQSNDIARGFERG
LEPEKIIGATDSCGDLMFLMKWKDTDEADLVLAKEANVKCPQIVIAFYEERLTWHAYPED
AENKEKETAKS

BDBM50194254

n/a

Name

BDBM50194254

Synonyms:

CHEMBL3908012

Type

Small organic molecule

Emp. Form.

C44H64N8O9

Mol. Mass.

849.0272

SMILES

COC(=O)[C@H](CO)NC(=O)[C@H](CCCCNC1CN2CCC1CC2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)c1ccccc1 |r,wU:40.42,27.29,4.4,wD:35.37,10.10,(30.05,-20.96,;28.71,-20.19,;27.38,-20.97,;27.39,-22.51,;26.05,-20.2,;26.04,-18.66,;27.37,-17.89,;24.72,-20.98,;23.38,-20.21,;23.37,-18.67,;22.05,-20.99,;22.05,-22.53,;23.39,-23.29,;23.4,-24.83,;24.73,-25.6,;24.74,-27.14,;26.08,-27.9,;26.07,-29.44,;27.4,-30.2,;28.74,-29.44,;28.73,-27.89,;27.4,-27.12,;28.02,-28.16,;28.02,-29.32,;20.71,-20.22,;19.38,-21,;19.39,-22.54,;18.04,-20.23,;18.04,-18.69,;19.37,-17.92,;19.36,-16.38,;20.71,-18.68,;16.71,-21.01,;15.38,-20.24,;15.37,-18.7,;14.05,-21.02,;14.05,-22.56,;12.71,-20.25,;11.38,-21.03,;11.39,-22.57,;10.04,-20.26,;10.03,-18.72,;9.28,-17.38,;10.07,-16.06,;9.32,-14.72,;7.77,-14.7,;6.99,-16.03,;7.75,-17.37,;8.71,-21.04,;7.38,-20.27,;7.37,-18.73,;6.04,-21.05,;4.71,-20.28,;3.38,-21.06,;3.38,-22.6,;2.04,-20.29,;2.04,-18.75,;.71,-17.99,;-.64,-18.76,;-.62,-20.31,;.72,-21.07,)|

Structure