Reaction Details | |||
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Target | Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) | ||
Ligand | BDBM50377687 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_479925 (CHEMBL929248) | ||
Kd | 2±n/a nM | ||
Citation | Mazitschek, R; Patel, V; Wirth, DF; Clardy, J Development of a fluorescence polarization based assay for histone deacetylase ligand discovery. Bioorg Med Chem Lett18:2809-12 (2008) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) | |||
Name: | Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) | ||
Synonyms: | HDAC3/NcoR2 Complex | Histone deacetylase 3/Nuclear receptor corepressor 2 | ||
Type: | n/a | ||
Mol. Mass.: | n/a | ||
Description: | ASSAY_ID of ChEMBL is 2146499 | ||
Components: | This complex has 2 components. | ||
Component 1 | |||
Name: | Histone deacetylase 3 | ||
Synonyms: | HD3 | HDAC3 | HDAC3_HUMAN | Histone deacetylase 3 (HDAC3) | Human HDAC3 | RPD3-2 | SMAP45 | ||
Type: | Enzyme | ||
Mol. Mass.: | 48829.55 | ||
Organism: | Homo sapiens (Human) | ||
Description: | O15379 | ||
Residue: | 428 | ||
Sequence: |
| ||
Component 2 | |||
Name: | Nuclear receptor corepressor 2 | ||
Synonyms: | CTG repeat protein 26 | CTG26 | Histone deacetylase 2/Nuclear receptor corepressor 2 | N-CoR2 | NCOR2 | NCOR2_HUMAN | Nuclear receptor corepressor 2 | Peroxisome proliferator-activated receptor gamma/Nuclear receptor corepressor 2 | SMAP270 | SMRT | Silencing mediator of retinoic acid and thyroid hormone receptor | T3 receptor-associating factor | TRAC | Thyroid-, retinoic-acid-receptor-associated corepressor | ||
Type: | Enzyme | ||
Mol. Mass.: | 274839.59 | ||
Organism: | Homo sapiens (Human) | ||
Description: | Q9Y618 | ||
Residue: | 2514 | ||
Sequence: |
| ||
BDBM50377687 | |||
n/a | |||
Name | BDBM50377687 | ||
Synonyms: | CHEMBL255686 | ||
Type | Small organic molecule | ||
Emp. Form. | C41H42N8O7S | ||
Mol. Mass. | 790.887 | ||
SMILES | ONC(=O)CCCCCCNC(=O)c1ccc(NCc2cn(CCCNC(=S)Nc3ccc(c(c3)C(O)=O)-c3c4ccccc4oc4cc(=O)ccc34)nn2)cc1 |(33.95,-8.48,;32.41,-8.48,;31.64,-7.15,;32.4,-5.81,;30.1,-7.15,;29.32,-5.82,;27.78,-5.82,;27.01,-4.48,;25.47,-4.48,;24.7,-3.15,;23.16,-3.15,;22.39,-1.81,;23.16,-.48,;20.85,-1.81,;20.08,-3.15,;18.54,-3.15,;17.79,-1.81,;16.25,-1.81,;15.48,-.47,;13.94,-.47,;12.9,.67,;11.5,.03,;10.17,.8,;8.83,.02,;7.5,.79,;6.17,.02,;4.83,.78,;4.83,2.32,;3.5,.01,;3.5,-1.53,;2.18,-2.3,;2.17,-3.85,;3.51,-4.62,;4.84,-3.85,;4.84,-2.3,;6.18,-4.61,;6.18,-6.15,;7.51,-3.84,;3.48,-7.08,;4.8,-7.85,;6.13,-7.07,;7.46,-7.83,;7.47,-9.38,;6.13,-10.16,;4.79,-9.38,;3.47,-10.15,;2.14,-9.37,;.82,-10.14,;-.51,-9.37,;-1.84,-10.14,;-.51,-7.84,;.82,-7.08,;2.14,-7.84,;11.66,-1.49,;13.17,-1.81,;18.54,-.48,;20.08,-.48,)| | ||
Structure |