Reaction Details Report a problem with these data
Target
Bromodomain-containing protein 4 [333-460]
Ligand
BDBM205431
Substrate
n/a
Meas. Tech.
BROMOscan Assay
Kd
0.024±0.0 nM
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 
Target
Name:
Bromodomain-containing protein 4 [333-460]
Synonyms:
Bromodomain-containing protein 4 (BRD4) | BET bromodomain 4(2) (BRD4(2)) | BRD4_HUMAN | BRD4 | HUNK1
Type:
Enzyme Catalytic Domain
Mol. Mass.:
14818.38
Organism:
Human
Description:
aa (333-460)
Residue:
128
Sequence:
KDVPDSQQHPAPEKSSKVSEQLKCCSGILKEMFAKKHAAYAWPFYKPVDVEALGLHDYCDIIKHPMDMSTIKSKLEAREYRDAQEFGADVRLMFSNCYKYNPPDHEVVAMARKLQDVFEMRFAKMPDE
  
Inhibitor
Name:
BDBM205431
Synonyms:
(6S+2S)-PEG1 (7)
Type:
Small organic molecule
Emp. Form.:
n/a
Mol. Mass.:
912.22
SMILES:
COC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2c(sc(C(=O)NCCOCCNC(=O)C[C@@H]3N=C(c4ccc(Cl)cc4)c4c(sc(C)c4C)-n4c(C)nnc43)c2C)-n2c(C)nnc21
Structure:
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