Target
Bromodomain testis-specific protein [21-137]
Ligand
BDBM205450
Substrate
n/a
Meas. Tech.
AlphaScreen BRD Binding Assay
pH
7.5±n/a
Temperature
298.15±n/a K
IC50
64.6±0.0 nM
Comments
extracted
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 
Target
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:
NTKKNGRLTNQLQYLQKVVLKDLWKHSFSWPFQRPVDAVKLQLPDYYTIIKNPMDLNTIKKRLENKYYAKASECIEDFNTMFSNCYLYNKPGDDIVLMAQALEKLFMQKLSQMPQEE
  
Inhibitor
Name:
BDBM205450
Synonyms:
IBETx2-PEG3 (32)
Type:
Small organic molecule
Emp. Form.:
C58H62N12O11
Mol. Mass.:
1103.1867
SMILES:
COc1cc2c3n([C@@H](C)c4ccccn4)c(=O)n(CC(=O)NCCOCCOCCOCCNC(=O)Cn4c5cnc6cc(-c7c(C)noc7C)c(OC)cc6c5n([C@H](C)c5ccccn5)c4=O)c3cnc2cc1-c1c(C)noc1C |r,wD:58.62,7.7,(-6.47,-.67,;-5.13,.1,;-3.8,.87,;-2.47,.1,;-1.13,.87,;.2,.1,;.68,-1.36,;-.33,-2.3,;-1.87,-1.91,;.11,-3.47,;1.65,-3.47,;2.42,-4.8,;1.65,-6.14,;.11,-6.14,;-.66,-4.8,;2.22,-1.36,;2.99,-2.7,;2.69,.1,;4.03,.87,;5.34,.14,;5.75,-1.4,;6.84,1.15,;7.93,.06,;9.26,.83,;10.6,.06,;11.93,.83,;13.26,.06,;14.6,.83,;15.69,-.26,;17.02,.51,;18.11,-.58,;19.44,.19,;20.78,-.58,;22.36,.11,;24.13,-1.1,;24.02,-3.19,;25.22,-.01,;26.55,-.78,;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,;33.05,-.01,;34.38,-.78,;35.71,-1.55,;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,;1.53,.87,;1.53,2.41,;.2,3.18,;-1.13,2.41,;-2.47,3.18,;-3.8,2.41,;-5.13,3.18,;-6.47,2.41,;-6.47,.87,;-7.56,3.5,;-6.86,4.87,;-5.34,4.63,;-4.25,5.72,)|
Structure:
Search PDB for entries with ligand similarity: