Reaction Details
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Report a problem with these dataTarget
Bromodomain testis-specific protein [21-137]
Ligand
BDBM205436
Substrate
n/a
Meas. Tech.
AlphaScreen BRD Binding Assay
pH
7.5±n/a
Temperature
298.15±n/a K
IC50
148±0.0 nM
Comments
extracted
Citation
Tanaka, M; Roberts, JM; Seo, HS; Souza, A; Paulk, J; Scott, TG; DeAngelo, SL; Dhe-Paganon, S; Bradner, JE Design and characterization of bivalent BET inhibitors. Nat Chem Biol 12:1089-1096 (2016) [PubMed] Article More Info.:
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:
BDBM205436
Synonyms:
6S+IBET-PEG0 (17)
Type:
Small organic molecule
Emp. Form.:
C46H44ClN11O5S
Mol. Mass.:
898.43
SMILES:
COc1cc2c3n([C@H](C)c4ccccn4)c(=O)n(CC(=O)NCCNC(=O)C[C@@H]4N=C(c5c(C)c(C)sc5-n5c(C)nnc45)c4ccc(Cl)cc4)c3cnc2cc1-c1c(C)noc1C |r,wD:28.28,7.7,c:30,(24.05,-.34,;22.72,.43,;21.39,1.2,;20.05,.43,;18.72,1.2,;17.38,.43,;16.91,-1.04,;17.91,-1.97,;19.45,-1.59,;17.47,-3.14,;15.93,-3.14,;15.16,-4.48,;15.93,-5.81,;17.47,-5.81,;18.24,-4.48,;15.37,-1.04,;14.6,-2.37,;14.89,.43,;13.56,1.2,;12.47,.11,;12.47,-1.43,;11.14,.88,;9.91,-.11,;8.37,-.16,;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,;16.05,1.2,;16.05,2.74,;17.38,3.51,;18.72,2.74,;20.05,3.51,;21.39,2.74,;22.72,3.51,;24.05,2.74,;24.05,1.2,;25.14,3.83,;24.44,5.2,;22.92,4.96,;21.83,6.05,)|
Structure:
