Ki Summary new BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetBromodomain testis 1 (BRDT(1))
LigandBDBM205437
Substrate/Competitorn/a
Meas. Tech.AlphaScreen BRD Binding Assay
pH7.5±n/a
Temperature298.15±n/a K
IC50 12.1±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 Biol 12:1089-1096 (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:
BDBM205437
n/a
NameBDBM205437
Synonyms:6S+IBET-PEG1 (18)
TypeSmall organic molecule
Emp. Form.C48H48ClN11O6S
Mol. Mass.942.483
SMILESCOc1cc2c3n([C@H](C)c4ccccn4)c(=O)n(CC(=O)NCCOCCNC(=O)C[C@@H]4N=C(c5c(C)c(C)sc5-n5c(C)nnc45)c4ccc(Cl)cc4)c3cnc2cc1-c1c(C)noc1C |r,wD:31.31,7.7,c:33,(28.23,-.23,;26.9,.54,;25.57,1.31,;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,;19.07,.54,;17.74,1.31,;16.65,.22,;16.65,-1.32,;14.99,.99,;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,;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,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: