Reaction Details
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Report a problem with these dataTarget
Bromodomain testis-specific protein [21-137]
Ligand
BDBM205442
Substrate
n/a
Meas. Tech.
AlphaScreen BRD Binding Assay
pH
7.5±n/a
Temperature
298.15±n/a K
IC50
13.2±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:
BDBM205442
Synonyms:
2S+IBET-PEG7 (28)
Type:
Small organic molecule
Emp. Form.:
C61H72ClN11O14S
Mol. Mass.:
1250.808
SMILES:
COC(=O)CC1N=C(c2c(C)c(sc2-n2c(C)nnc12)C(=O)NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)Cn1c2cnc3cc(-c4c(C)noc4C)c(OC)cc3c2n([C@H](C)c2ccccn2)c1=O)c1ccc(Cl)cc1 |r,wD:71.77,c:6,(-6.15,-3.12,;-4.9,-2.02,;-3.4,-2.78,;-3.15,-4.32,;-2.55,-1.78,;-1.06,-2.18,;-.1,-3.38,;1.44,-3.38,;2.4,-2.18,;3.94,-2.18,;5.03,-3.27,;4.42,-.71,;3.17,.19,;2.06,-.68,;.67,-.01,;.42,1.54,;1.5,2.63,;-1.11,1.78,;-1.8,.41,;-.72,-.68,;6,-.44,;6.82,-1.57,;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,;19.77,.19,;20.78,-.58,;22.33,.52,;23.97,-.57,;24.75,.2,;26.09,-.57,;27.42,.2,;28.75,-.57,;30.09,.2,;31.42,-.57,;32.76,.2,;34.09,-.57,;35.42,.2,;36.76,-.57,;38.31,.33,;39.75,-.44,;39.64,-2.53,;40.84,.65,;42.17,-.12,;43.33,.65,;43.33,2.19,;44.66,2.96,;46,2.19,;47.33,2.96,;48.67,2.19,;50,2.96,;51.33,2.19,;51.33,.65,;52.42,3.28,;51.72,4.65,;50.2,4.41,;49.11,5.5,;48.67,.65,;50,-.12,;51.33,-.89,;47.33,-.12,;46,.65,;44.66,-.12,;44.19,-1.59,;45.19,-2.52,;46.73,-2.14,;44.75,-3.69,;43.21,-3.69,;42.44,-5.03,;43.21,-6.36,;44.75,-6.36,;45.52,-5.03,;42.65,-1.59,;41.88,-2.92,;2.21,-4.72,;3.75,-4.72,;4.52,-6.05,;3.75,-7.38,;4.52,-8.72,;2.21,-7.38,;1.44,-6.05,)|
Structure:
