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Target
Lysine-specific histone demethylase 1A
Ligand
BDBM504314
Substrate
n/a
Meas. Tech.
Inhibition Assay
IC50
213±n/a nM
Citation
 Carceller González, E; Maes, T; Mascaro Crusat, C; Ortega Muñoz, A Methods to determine KDM1A target engagement and chemoprobes useful therefor US Patent  US11034991 Publication Date 6/15/2021 
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:
BDBM504314
Synonyms:
N-(51-(4'-((trans)-2-(((trans)-4- | US11034991, Example 1.3
Type:
Small organic molecule
Emp. Form.:
C66H110N6O18S
Mol. Mass.:
1307.674
SMILES:
N[C@H]1CC[C@@H](CC1)N[C@@H]1C[C@H]1c1ccc(cc1)-c1cccc(CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)c1 |r,wU:84.87,89.91,81.83,10.12,4.7,wD:8.8,1.0,(24.2,-5.04,;22.86,-4.27,;22.86,-2.73,;21.53,-1.96,;20.19,-2.73,;20.19,-4.27,;21.53,-5.04,;18.86,-1.96,;17.53,-2.73,;16.76,-4.06,;15.99,-2.73,;14.65,-1.96,;14.65,-.42,;13.32,.35,;11.99,-.42,;11.99,-1.96,;13.32,-2.73,;10.65,.35,;10.65,1.89,;9.32,2.66,;7.99,1.89,;7.99,.35,;6.65,-.42,;5.32,.35,;3.98,-.42,;3.98,-1.96,;2.65,.35,;1.32,-.42,;-.02,.35,;-1.35,-.42,;-2.68,.35,;-4.02,-.42,;-5.35,.35,;-6.68,-.42,;-8.02,.35,;-9.35,-.42,;-10.69,.35,;-12.02,-.42,;-13.35,.35,;-14.69,-.42,;-16.02,.35,;-17.35,-.42,;-18.69,.35,;-20.02,-.42,;-21.36,.35,;-22.69,-.42,;-24.02,.35,;-25.36,-.42,;-26.69,.35,;-28.02,-.42,;-29.36,.35,;-30.69,-.42,;-32.02,.35,;-33.36,-.42,;-34.69,.35,;-36.03,-.42,;-37.36,.35,;-38.69,-.42,;-40.03,.35,;-41.36,-.42,;-42.69,.35,;-44.03,-.42,;-45.36,.35,;-46.7,-.42,;-48.03,.35,;-49.36,-.42,;-50.7,.35,;-52.03,-.42,;-53.36,.35,;-54.7,-.42,;-56.03,.35,;-57.36,-.42,;-58.7,.35,;-60.03,-.42,;-61.37,.35,;-62.7,-.42,;-62.7,-1.96,;-64.03,.35,;-65.37,-.42,;-66.7,.35,;-68.03,-.42,;-69.37,.35,;-69.53,1.88,;-71.04,2.2,;-71.81,.87,;-73.21,.24,;-73.05,-1.29,;-74.2,-2.32,;-71.54,-1.61,;-70.77,-.28,;9.32,-.42,)|
Structure:
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