Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetBromodomain testis-specific protein [21-137]
LigandBDBM205439
Substrate/Competitorn/a
Meas. Tech.AlphaScreen BRD Binding Assay
pH7.5±n/a
Temperature298.15±n/a K
IC50 5.78±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-specific protein [21-137]
Name:Bromodomain testis-specific protein [21-137]
Synonyms:BRDT | BRDT_HUMAN | Bromodomain testis 1 (BRDT(1))
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:
BDBM205439
n/a
NameBDBM205439
Synonyms:6S+IBET-PEG3 (20)
TypeSmall organic molecule
Emp. Form.C52H56ClN11O8S
Mol. Mass.1030.588
SMILESCOc1cc2c3n([C@H](C)c4ccccn4)c(=O)n(CC(=O)NCCOCCOCCOCCNC(=O)C[C@@H]4N=C(c5c(C)c(C)sc5-n5c(C)nnc45)c4ccc(Cl)cc4)c3cnc2cc1-c1c(C)noc1C |r,wD:37.37,7.7,c:39,(35.71,-1.55,;34.38,-.78,;33.05,-.01,;31.71,-.78,;30.38,-.01,;29.04,-.78,;28.57,-2.25,;29.57,-3.18,;31.11,-2.8,;29.13,-4.35,;27.59,-4.35,;26.82,-5.69,;27.59,-7.02,;29.13,-7.02,;29.9,-5.69,;27.03,-2.25,;26.26,-3.58,;26.55,-.78,;25.22,-.01,;24.13,-1.1,;24.02,-3.19,;22.36,.11,;20.78,-.58,;19.44,.19,;18.11,-.58,;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,;27.71,-.01,;27.71,1.53,;29.04,2.3,;30.38,1.53,;31.71,2.3,;33.05,1.53,;34.38,2.3,;35.71,1.53,;35.71,-.01,;36.8,2.62,;36.1,3.99,;34.58,3.75,;33.49,4.84,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: