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Target
Lysine-specific histone demethylase 1A
Ligand
BDBM504313
Substrate
n/a
Meas. Tech.
Inhibition Assay
IC50
210±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:
BDBM504313
Synonyms:
N-(27-(4'-((trans)-2-(((trans)-4- | US11034991, Example 1.2
Type:
Small organic molecule
Emp. Form.:
C50H78N6O10S
Mol. Mass.:
955.254
SMILES:
N[C@H]1CC[C@@H](CC1)N[C@@H]1C[C@H]1c1ccc(cc1)-c1cccc(CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)c1 |r,wU:60.63,65.67,57.59,10.12,4.7,wD:8.8,1.0,(25.06,-4.86,;23.73,-4.09,;23.73,-2.55,;22.39,-1.78,;21.06,-2.55,;21.06,-4.09,;22.39,-4.86,;19.73,-1.78,;18.39,-2.55,;17.62,-3.89,;16.85,-2.55,;15.52,-1.78,;15.52,-.24,;14.18,.53,;12.85,-.24,;12.85,-1.78,;14.18,-2.55,;11.52,.53,;11.52,2.07,;10.18,2.84,;8.85,2.07,;8.85,.53,;7.52,-.24,;6.18,.53,;4.85,-.24,;4.85,-1.78,;3.52,.53,;2.18,-.24,;.85,.53,;-.49,-.24,;-1.82,.53,;-3.15,-.24,;-4.49,.53,;-5.82,-.24,;-7.15,.53,;-8.49,-.24,;-9.82,.53,;-11.16,-.24,;-12.49,.53,;-13.82,-.24,;-15.16,.53,;-16.49,-.24,;-17.82,.53,;-19.16,-.24,;-20.49,.53,;-21.82,-.24,;-23.16,.53,;-24.49,-.24,;-25.83,.53,;-27.16,-.24,;-28.49,.53,;-29.83,-.24,;-29.83,-1.78,;-31.16,.53,;-32.49,-.24,;-33.83,.53,;-35.16,-.24,;-36.5,.53,;-36.66,2.06,;-38.16,2.38,;-38.93,1.05,;-40.34,.42,;-40.18,-1.11,;-41.32,-2.14,;-38.67,-1.43,;-37.9,-.1,;10.18,-.24,)|
Structure:
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