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Target
Lysine-specific histone demethylase 1A
Ligand
BDBM356626
Substrate
n/a
Meas. Tech.
Biological Assays-Inhibition of LSD1
IC50
91.0±n/a nM
Citation
 Ortega Muñoz, A; Fyfe, MC; Martinell Pedemonte, M; Estiarte Martinez, M; Valls Vidal, N; Kurz, G; Castro Palomino Laria, JC (Hetero)aryl cyclopropylamine compounds as LSD1 inhibitors US Patent  US10214477 Publication Date 2/26/2019 
Target
Name:
Lysine-specific histone demethylase 1A
Synonyms:
AOF2 | BRAF35-HDAC complex protein BHC110 | Flavin-containing amine oxidase domain-containing protein 2 | KDM1 | KDM1A | KDM1A_HUMAN | KIAA0601 | LSD1 | Lysine-specific demethylase 1 (LSD1) | Lysine-specific histone demethylase 1 | Lysine-specific histone demethylase 1 (LSD1)
Type:
Enzyme
Mol. Mass.:
92901.01
Organism:
Homo sapiens (Human)
Description:
O60341
Residue:
852
Sequence:
MLSGKKAAAAAAAAAAAATGTEAGPGTAGGSENGSEVAAQPAGLSGPAEVGPGAVGERTPRKKEPPRASPPGGLAEPPGSAGPQAGPTVVPGSATPMETGIAETPEGRRTSRRKRAKVEYREMDESLANLSEDEYYSEEERNAKAEKEKKLPPPPPQAPPEEENESEPEEPSGVEGAAFQSRLPHDRMTSQEAACFPDIISGPQQTQKVFLFIRNRTLQLWLDNPKIQLTFEATLQQLEAPYNSDTVLVHRVHSYLERHGLINFGIYKRIKPLPTKKTGKVIIIGSGVSGLAAARQLQSFGMDVTLLEARDRVGGRVATFRKGNYVADLGAMVVTGLGGNPMAVVSKQVNMELAKIKQKCPLYEANGQAVPKEKDEMVEQEFNRLLEATSYLSHQLDFNVLNNKPVSLGQALEVVIQLQEKHVKDEQIEHWKKIVKTQEELKELLNKMVNLKEKIKELHQQYKEASEVKPPRDITAEFLVKSKHRDLTALCKEYDELAETQGKLEEKLQELEANPPSDVYLSSRDRQILDWHFANLEFANATPLSTLSLKHWDQDDDFEFTGSHLTVRNGYSCVPVALAEGLDIKLNTAVRQVRYTASGCEVIAVNTRSTSQTFIYKCDAVLCTLPLGVLKQQPPAVQFVPPLPEWKTSAVQRMGFGNLNKVVLCFDRVFWDPSVNLFGHVGSTTASRGELFLFWNLYKAPILLALVAGEAAGIMENISDDVIVGRCLAILKGIFGSSAVPQPKETVVSRWRADPWARGSYSYVAAGSSGNDYDLMAQPITPGPSIPGAPQPIPRLFFAGEHTIRNYPATVHGALLSGLREAGRIADQFLGAMYTLPRQATPGVPAQQSPSM
  
Inhibitor
Name:
BDBM356626
Synonyms:
US10214477, Example 12
Type:
Small organic molecule
Emp. Form.:
C23H26F3N3O2
Mol. Mass.:
433.4666
SMILES:
NC(=O)C1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(OCc2cccc(c2)C(F)(F)F)nc1 |r,wU:12.14,wD:10.10,(10.21,3.85,;8.88,4.62,;8.88,6.16,;7.54,3.85,;7.54,2.31,;6.21,1.54,;4.87,2.31,;4.87,3.85,;6.21,4.62,;3.54,1.54,;2.21,2.31,;1.44,3.64,;.67,2.31,;-.67,1.54,;-2,2.31,;-3.33,1.54,;-3.33,,;-4.67,-.77,;-6,,;-7.34,-.77,;-8.67,,;-10,-.77,;-10,-2.31,;-8.67,-3.14,;-7.34,-2.31,;-8.67,-4.68,;-8.67,-6.22,;-10.21,-4.68,;-7.13,-4.68,;-2,-.77,;-.67,,)|
Structure:
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