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TargetBromodomain-containing protein 4 (BRD4)
LigandBDBM205438
Substrate/Competitorn/a
Meas. Tech.AlphaScreen BRD Binding Assay
pH7.5±n/a
Temperature298.15±n/a K
IC50 58.6±0.0 nM
Commentsextracted
Citation Tanaka, MRoberts, JMSeo, HSSouza, APaulk, JScott, TGDeAngelo, SLDhe-Paganon, SBradner, JE Design and characterization of bivalent BET inhibitors. Nat Chem Biol12:1089-1096 (2016) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Bromodomain-containing protein 4 (BRD4)
Name:Bromodomain-containing protein 4 (BRD4)
Synonyms:BET bromodomain 4(1) (BRD4(1)) | BRD4-BD1 protein (aa 44-168) | Bromodomain protein 4 (BRD4-BD1) | Bromodomain-containing protein 4 (BRD4-BD1) | Bromodomain-containing protein 4 (BRD4-BD1) | Bromodomain-containing protein 4 bromodomain 1 (BRD4-BD1)
Type:Enzyme Catalytic Domain
Mol. Mass.:14866.49
Organism:Homo sapiens (Human)
Description:aa (44-168)
Residue:125
Sequence:
NPPPPETSNPNKPKRQTNQLQYLLRVVLKTLWKHQFAWPFQQPVDAVKLNLPDYYKIIKT
PMDMGTIKKRLENNYYWNAQECIQDFNTMFTNCYIYNKPGDDIVLMAEALEKLFLQKINE
LPTEE
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM205438
NameBDBM205438
Synonyms:6S+IBET-PEG2 (19)
TypeSmall organic molecule
Emp. Form.C50H52ClN11O7S
Mol. Mass.986.535
SMILESCOc1cc2c3n([C@H](C)c4ccccn4)c(=O)n(CC(=O)NCCOCCOCCNC(=O)C[C@@H]4N=C(c5c(C)c(C)sc5-n5c(C)nnc45)c4ccc(Cl)cc4)c3cnc2cc1-c1c(C)noc1C |r,wD:34.34,7.7,c:36,(31.86,-.67,;30.53,.1,;29.2,.87,;27.86,.1,;26.53,.87,;25.19,.1,;24.72,-1.37,;25.72,-2.3,;27.26,-1.92,;25.28,-3.47,;23.74,-3.47,;22.97,-4.81,;23.74,-6.14,;25.28,-6.14,;26.05,-4.81,;23.18,-1.37,;22.41,-2.7,;22.7,.1,;21.37,.87,;20.28,-.22,;20.72,-2.31,;18.4,-.66,;17.02,.51,;15.69,-.26,;14.6,.83,;13.26,.06,;11.93,.83,;10.6,.06,;9.26,.83,;7.93,.06,;6.84,1.15,;5.75,.06,;5.75,-1.48,;4.66,1.15,;3.33,.38,;2.37,-.83,;.83,-.83,;-.13,.38,;-1.67,.38,;-2.76,-.71,;-2.15,1.84,;-3.48,2.61,;-.9,2.74,;.21,1.88,;1.6,2.54,;1.86,4.1,;.77,5.19,;3.38,4.34,;4.08,2.97,;2.99,1.88,;.06,-2.16,;-1.48,-2.16,;-2.25,-3.5,;-1.48,-4.83,;-2.25,-6.16,;.06,-4.83,;.83,-3.5,;23.86,.87,;23.86,2.41,;25.19,3.18,;26.53,2.41,;27.86,3.18,;29.2,2.41,;30.53,3.18,;31.86,2.41,;31.86,.87,;32.95,3.5,;32.25,4.87,;30.73,4.63,;29.64,5.72,)|
Structure
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