Reaction Details |
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Target | Bromodomain-containing protein 4 [1-477]/[333-460]/[44-168]/[44-460] |
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Ligand | BDBM331243 |
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Substrate/Competitor | n/a |
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Meas. Tech. | Time Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Assay |
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IC50 | <1±n/a nM |
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Citation | Norris, DJ; Vaccaro, W; DeBenedetto, MV; Degnan, AP; Delucca, GV; Deskus, JA; Han, W; Kumi, GK; Schmitz, WD; Starrett, Jr., JE; Hill, MD; Huang, H Tricyclic compounds as anticancer agents US Patent US9725449 Publication Date 8/8/2017 |
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More Info.: | Get all data from this article, Assay Method |
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Bromodomain-containing protein 4 [1-477]/[333-460]/[44-168]/[44-460] |
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Name: | Bromodomain-containing protein 4 [1-477]/[333-460]/[44-168]/[44-460] |
Synonyms: | Bromodomain BRD4 |
Type: | Protein |
Mol. Mass.: | n/a |
Description: | n/a |
Components: | This complex has 4 components. |
Component 1 |
Name: | Bromodomain-containing protein 4 [44-168] |
Synonyms: | BET bromodomain 4(1) (BRD4(1)) | BRD4 | BRD4-BD1 protein (aa 44-168) | BRD4_HUMAN | Bromodomain protein 4 (BRD4-BD1) | Bromodomain-containing protein 4 (BRD4-BD1) | Bromodomain-containing protein 4 (BRD4) (aa 44-168) | Bromodomain-containing protein 4 (BRD4-BD1) | Bromodomain-containing protein 4 bromodomain 1 (BRD4-BD1) | HUNK1 |
Type: | Enzyme Catalytic Domain |
Mol. Mass.: | 14866.49 |
Organism: | Homo sapiens (Human) |
Description: | aa (44-168) |
Residue: | 125 |
Sequence: | NPPPPETSNPNKPKRQTNQLQYLLRVVLKTLWKHQFAWPFQQPVDAVKLNLPDYYKIIKT
PMDMGTIKKRLENNYYWNAQECIQDFNTMFTNCYIYNKPGDDIVLMAEALEKLFLQKINE
LPTEE
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Component 2 |
Name: | Bromodomain-containing protein 4 [333-460] |
Synonyms: | BET bromodomain 4(2) (BRD4(2)) | BRD4 | BRD4_HUMAN | Bromodomain-containing protein 4 (BRD4) | HUNK1 |
Type: | Enzyme Catalytic Domain |
Mol. Mass.: | 14818.38 |
Organism: | Homo sapiens (Human) |
Description: | aa (333-460) |
Residue: | 128 |
Sequence: | KDVPDSQQHPAPEKSSKVSEQLKCCSGILKEMFAKKHAAYAWPFYKPVDVEALGLHDYCD
IIKHPMDMSTIKSKLEAREYRDAQEFGADVRLMFSNCYKYNPPDHEVVAMARKLQDVFEM
RFAKMPDE
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Component 3 |
Name: | Bromodomain-containing protein 4 [1-477] |
Synonyms: | BRD4 | BRD4_HUMAN | Bromodomain-containing protein 4 (BRD4 (aa 1-477) | Bromodomain-containing protein 4 (aa 1-477) | HUNK1 |
Type: | Enzyme Catalytic Domain |
Mol. Mass.: | 53061.90 |
Organism: | Homo sapiens (Human) |
Description: | aa (1-477) |
Residue: | 477 |
Sequence: | MSAESGPGTRLRNLPVMGDGLETSQMSTTQAQAQPQPANAASTNPPPPETSNPNKPKRQT
NQLQYLLRVVLKTLWKHQFAWPFQQPVDAVKLNLPDYYKIIKTPMDMGTIKKRLENNYYW
NAQECIQDFNTMFTNCYIYNKPGDDIVLMAEALEKLFLQKINELPTEETEIMIVQAKGRG
RGRKETGTAKPGVSTVPNTTQASTPPQTQTPQPNPPPVQATPHPFPAVTPDLIVQTPVMT
VVPPQPLQTPPPVPPQPQPPPAPAPQPVQSHPPIIAATPQPVKTKKGVKRKADTTTPTTI
DPIHEPPSLPPEPKTTKLGQRRESSRPVKPPKKDVPDSQQHPAPEKSSKVSEQLKCCSGI
LKEMFAKKHAAYAWPFYKPVDVEALGLHDYCDIIKHPMDMSTIKSKLEAREYRDAQEFGA
DVRLMFSNCYKYNPPDHEVVAMARKLQDVFEMRFAKMPDEPEEPVVAVSSPAVPPPT
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Component 4 |
Name: | Bromodomain-containing protein 4 [44-460] |
Synonyms: | BRD4 | BRD4_HUMAN | Bromodomain-containing protein 4 (BRD4) | HUNK1 |
Type: | Enzyme Catalytic Domain |
Mol. Mass.: | 47039.29 |
Organism: | Homo sapiens (Human) |
Description: | aa (44-460) |
Residue: | 417 |
Sequence: | NPPPPETSNPNKPKRQTNQLQYLLRVVLKTLWKHQFAWPFQQPVDAVKLNLPDYYKIIKT
PMDMGTIKKRLENNYYWNAQECIQDFNTMFTNCYIYNKPGDDIVLMAEALEKLFLQKINE
LPTEETEIMIVQAKGRGRGRKETGTAKPGVSTVPNTTQASTPPQTQTPQPNPPPVQATPH
PFPAVTPDLIVQTPVMTVVPPQPLQTPPPVPPQPQPPPAPAPQPVQSHPPIIAATPQPVK
TKKGVKRKADTTTPTTIDPIHEPPSLPPEPKTTKLGQRRESSRPVKPPKKDVPDSQQHPA
PEKSSKVSEQLKCCSGILKEMFAKKHAAYAWPFYKPVDVEALGLHDYCDIIKHPMDMSTI
KSKLEAREYRDAQEFGADVRLMFSNCYKYNPPDHEVVAMARKLQDVFEMRFAKMPDE
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BDBM331243 |
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n/a |
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Name | BDBM331243 |
Synonyms: | 13-Ethoxy-8-[(S)-(4-fluorophenyl)(oxan-4-yl)methyl]-10-methanesulfonyl-5-[4-(2H3)methyl-1-methyl-1H-1,2,3-triazol-5-yl]-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2 | US9725449, Example 77 |
Type | Small organic molecule |
Emp. Form. | C29H31FN6O4S |
Mol. Mass. | 578.658 |
SMILES | CCOc1ncc(c2n([C@@H](C3CCOCC3)c3ccc(F)cc3)c3cc(cnc3c12)-c1c(C)nnn1C)S(C)(=O)=O |r| |
Structure |
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