Reaction Details | |||
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Target | Glutathione S-transferase P/Lysine-specific histone demethylase 1A [158-852] | ||
Ligand | BDBM254589 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | Biological Assay | ||
pH | 7.4±n/a | ||
Temperature | 310.15±n/a K | ||
IC50 | 27±n/a nM | ||
Comments | extracted | ||
Citation | Ortega Muñoz, A; Fyfe, MC; Martinell Pedemonte, M; Estiarte Martínez, M; Valls Vidal, N; Kurz, G; Castro Palomino Laria, JC (Hetero)aryl cyclopropylamine compounds as LSD1 inhibitors US Patent US9469597 Publication Date 10/18/2016 | ||
More Info.: | Get all data from this article, Assay Method | ||
Glutathione S-transferase P/Lysine-specific histone demethylase 1A [158-852] | |||
Name: | Glutathione S-transferase P/Lysine-specific histone demethylase 1A [158-852] | ||
Synonyms: | GST-Lysine Specific Demethylase-1 (LSD1) | ||
Type: | Enzyme | ||
Mol. Mass.: | n/a | ||
Description: | n/a | ||
Components: | This complex has 2 components. | ||
Component 1 | |||
Name: | Glutathione S-transferase P | ||
Synonyms: | FAEES3 | GST class-pi | GST3 | GSTP1 | GSTP1-1 | GSTP1_HUMAN | Glutathione S-transferase | Glutathione S-transferase (GST) | Glutathione S-transferase P | Glutathione S-transferase Pi | Glutathione transferase (GST) | ||
Type: | Enzyme | ||
Mol. Mass.: | 23353.53 | ||
Organism: | Homo sapiens (Human) | ||
Description: | P09211 | ||
Residue: | 210 | ||
Sequence: |
| ||
Component 2 | |||
Name: | Lysine-specific histone demethylase 1A [158-852] | ||
Synonyms: | AOF2 | KDM1 | KDM1A | KDM1A_HUMAN | KIAA0601 | LSD1 | Lysine Specific Demethylase-1 (LSD1) | ||
Type: | Enzyme | ||
Mol. Mass.: | 77140.81 | ||
Organism: | Homo sapiens (Human) | ||
Description: | aa 158-852 | ||
Residue: | 695 | ||
Sequence: |
| ||
BDBM254589 | |||
n/a | |||
Name | BDBM254589 | ||
Synonyms: | US9469597, 48 | US9670136, 48 N-(4′-((trans)-2-((4-aminocyclohexyl)amino)cyclopropyl)-6-methoxy-[1,1′-biphenyl]-3-yl)methanesulfonamide | ||
Type | Small organic molecule | ||
Emp. Form. | C23H31N3O3S | ||
Mol. Mass. | 429.576 | ||
SMILES | COc1ccc(NS(C)(=O)=O)cc1-c1ccc(cc1)[C@H]1C[C@@H]1NC1CCC(N)CC1 |r,wU:19.20,wD:21.24,(-2.03,-3.2,;-3.37,-3.95,;-4.7,-3.17,;-6.1,-3.85,;-7.44,-3.08,;-7.44,-1.54,;-8.77,-.77,;-10.11,-1.54,;-11.44,-2.31,;-11.44,-.77,;-10.11,-3.08,;-6.1,-.77,;-4.77,-1.54,;-3.44,-.77,;-2.1,-1.54,;-.77,-.77,;-.77,.77,;-2.1,1.54,;-3.44,.77,;.56,1.54,;1.33,2.87,;2.1,1.54,;3.44,.77,;4.77,1.54,;6.1,.77,;7.44,1.54,;7.44,3.08,;8.77,3.85,;6.1,3.85,;4.77,3.08,)| | ||
Structure |