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Reaction Details
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TargetBromodomain testis 1 (BRDT(1))
LigandBDBM205444
Substrate/Competitorn/a
Meas. Tech.AlphaScreen BRD Binding Assay
pH7.5±n/a
Temperature298.15±n/a K
IC50 40.3±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 testis 1 (BRDT(1))
Name:Bromodomain testis 1 (BRDT(1))
Synonyms:n/a
Type:n/a
Mol. Mass.:13934.55
Organism:Homo sapiens (Human)
Description:Q58F21 (BRDT, 21-137)
Residue:117
Sequence:
NTKKNGRLTNQLQYLQKVVLKDLWKHSFSWPFQRPVDAVKLQLPDYYTIIKNPMDLNTIK
KRLENKYYAKASECIEDFNTMFSNCYLYNKPGDDIVLMAQALEKLFMQKLSQMPQEE
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM205444
NameBDBM205444
Synonyms:2S+IBET-PEG1 (24)
TypeSmall organic molecule
Emp. Form.C49H48ClN11O8S
Mol. Mass.986.492
SMILESCOC(=O)CC1N=C(c2c(C)c(sc2-n2c(C)nnc12)C(=O)NCCOCCNC(=O)Cn1c2cnc3cc(-c4c(C)noc4C)c(OC)cc3c2n([C@H](C)c2ccccn2)c1=O)c1ccc(Cl)cc1 |r,wD:53.59,c:6,(-5.7,4.34,;-4.06,4.67,;-3.14,3.26,;-3.7,1.8,;-1.9,3.7,;-.81,2.61,;-.58,1.09,;.75,.32,;2.18,.88,;3.52,.11,;3.92,-1.37,;4.66,1.15,;4.04,2.55,;2.64,2.36,;1.77,3.63,;2.33,5.1,;3.81,5.5,;1.13,6.07,;-.16,5.23,;.24,3.74,;5.75,.22,;5.75,-1.07,;6.84,1.15,;7.93,.06,;9.26,.83,;10.6,.06,;11.93,.83,;13.26,.06,;14.99,.99,;16.65,.22,;16.65,-1.32,;17.74,1.31,;19.07,.54,;20.23,1.31,;20.23,2.85,;21.56,3.62,;22.9,2.85,;24.23,3.62,;25.57,2.85,;26.9,3.62,;28.23,2.85,;28.23,1.31,;29.32,3.94,;28.62,5.31,;27.1,5.07,;26.01,6.16,;25.57,1.31,;26.9,.54,;28.23,-.23,;24.23,.54,;22.9,1.31,;21.56,.54,;21.09,-.93,;22.09,-1.86,;23.63,-1.48,;21.65,-3.03,;20.11,-3.03,;19.34,-4.37,;20.11,-5.7,;21.65,-5.7,;22.42,-4.37,;19.55,-.93,;18.78,-2.26,;.75,-1.22,;2.08,-1.99,;2.08,-3.53,;.75,-4.3,;.75,-5.84,;-.58,-3.53,;-.58,-1.99,)|
Structure
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