Target
Lysine-specific histone demethylase 1A
Ligand
BDBM112396
Substrate
n/a
Meas. Tech.
LSD1 Histone Demethylase Biochemical Assay
pH
7.5±n/a
IC50
275±n/a nM
Comments
extracted
Citation
 Wu, LCourter, JRHe, CLi, JLu, LSun, YWang, XYao, WZhang, CZhuo, J Substituted imidazo[1,2-a]pyrazines as LSD1 inhibitors US Patent  US10112950 Publication Date 10/30/2018 
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:
BDBM112396
Synonyms:
US10112950, Example 89 | US10556908, Example 89 | US9695180, 89
Type:
Small organic molecule
Emp. Form.:
C31H33FN6O2
Mol. Mass.:
540.6311
SMILES:
CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc(CN4CCOCC4)cc3F)n3ccnc23)C1 |r,wD:5.5,(10,.39,;8.67,1.16,;8.67,2.7,;7.34,3.47,;6,2.7,;6,1.16,;4.67,.39,;3.33,1.16,;2,.39,;.67,1.16,;-.67,.39,;-2,1.16,;-2,2.7,;-3.33,3.47,;-4.72,2.72,;-4.67,1.16,;-3.33,.39,;-6.05,3.49,;-7.38,4.26,;-.67,-1.16,;-2,-1.93,;-3.33,-1.16,;-4.67,-1.93,;-4.67,-3.47,;-6,-4.24,;-7.34,-3.47,;-7.34,-1.93,;-8.67,-1.16,;-10,-1.93,;-10,-3.47,;-8.67,-4.24,;-3.33,-4.24,;-2,-3.47,;-.67,-4.24,;.67,-1.93,;.99,-3.43,;2.52,-3.59,;3.15,-2.19,;2,-1.16,;7.34,.39,)|
Structure:
Search PDB for entries with ligand similarity: