Reaction Details
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Report a problem with these dataTarget
Bromodomain testis-specific protein [21-137]
Ligand
BDBM205451
Substrate
n/a
Meas. Tech.
AlphaScreen BRD Binding Assay
pH
7.5±n/a
Temperature
298.15±n/a K
IC50
60.2±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:
BDBM205451
Synonyms:
IBETx2-PEG4 (33)
Type:
Small organic molecule
Emp. Form.:
C60H66N12O12
Mol. Mass.:
1147.2392
SMILES:
COc1cc2c3n([C@@H](C)c4ccccn4)c(=O)n(CC(=O)NCCOCCOCCOCCOCCNC(=O)Cn4c5cnc6cc(-c7c(C)noc7C)c(OC)cc6c5n([C@H](C)c5ccccn5)c4=O)c3cnc2cc1-c1c(C)noc1C |r,wD:61.65,7.7,(-5.92,-.12,;-4.58,.65,;-3.25,1.42,;-1.92,.65,;-.58,1.42,;.75,.65,;1.23,-.81,;.22,-1.75,;-1.32,-1.36,;.66,-2.92,;2.2,-2.92,;2.97,-4.25,;2.2,-5.59,;.66,-5.59,;-.11,-4.25,;2.77,-.81,;3.54,-2.15,;3.24,.65,;4.58,1.42,;5.67,.63,;5.67,-.66,;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,;27.2,.22,;28.53,-.55,;28.42,-2.64,;29.62,.54,;30.95,-.23,;32.11,.54,;32.11,2.08,;33.44,2.85,;34.78,2.08,;36.11,2.85,;37.45,2.08,;38.78,2.85,;40.11,2.08,;40.11,.54,;41.2,3.17,;40.5,4.54,;38.98,4.3,;37.89,5.39,;37.45,.54,;38.78,-.23,;40.11,-1,;36.11,-.23,;34.78,.54,;33.44,-.23,;32.97,-1.7,;33.97,-2.63,;35.51,-2.25,;33.53,-3.8,;31.99,-3.8,;31.22,-5.14,;31.99,-6.47,;33.53,-6.47,;34.3,-5.14,;31.43,-1.7,;30.66,-3.03,;2.08,1.42,;2.08,2.96,;.75,3.73,;-.58,2.96,;-1.92,3.73,;-3.25,2.96,;-4.58,3.73,;-5.92,2.96,;-5.92,1.42,;-7.01,4.05,;-6.31,5.42,;-4.79,5.18,;-3.7,6.27,)|
Structure:
