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Target
Lysine-specific histone demethylase 1A
Ligand
BDBM356677
Substrate
n/a
Meas. Tech.
Biological Assays-Inhibition of LSD1
IC50
19.0±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:
BDBM356677
Synonyms:
US10214477, Example 52
Type:
Small organic molecule
Emp. Form.:
C26H38N5O2S
Mol. Mass.:
484.677
SMILES:
C[N]1(CCNCC1)S(=O)(=O)Nc1cccc(c1)-c1ccc(cc1)[C@H]1C[C@@H]1NC1CCC(N)CC1 |r,wU:23.25,wD:25.29,(-7.91,-1.36,;-9.24,-.59,;-10.57,-1.36,;-11.91,-.59,;-11.91,.95,;-10.57,1.72,;-9.24,.95,;-7.59,-1.54,;-8.54,-3.18,;-6.64,-3.18,;-5.95,-.59,;-4.3,-1.54,;-4.3,-3.08,;-2.97,-3.85,;-1.64,-3.08,;-1.64,-1.54,;-2.97,-.77,;-.3,-.77,;1.03,-1.54,;2.36,-.77,;2.36,.77,;1.03,1.54,;-.3,.77,;3.7,1.54,;4.47,2.87,;5.24,1.54,;6.57,.77,;7.91,1.54,;9.24,.77,;10.57,1.54,;10.57,3.08,;11.91,3.85,;9.24,3.85,;7.91,3.08,)|
Structure:
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