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Target
Lysine-specific histone demethylase 1A
Ligand
BDBM504312
Substrate
n/a
Meas. Tech.
Inhibition Assay
IC50
120±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:
BDBM504312
Synonyms:
US11034991, Example 1.1 | US11034991, Example 1.6
Type:
Small organic molecule
Emp. Form.:
C58H94N6O14S
Mol. Mass.:
1131.464
SMILES:
N[C@H]1CC[C@@H](CC1)N[C@@H]1C[C@H]1c1ccc(cc1)-c1cccc(CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)c1 |r,wU:72.75,77.79,69.71,10.12,4.7,wD:8.8,1.0,(24.63,-4.97,;23.3,-4.2,;23.3,-2.66,;21.97,-1.89,;20.63,-2.66,;20.63,-4.2,;21.97,-4.97,;19.3,-1.89,;17.97,-2.66,;17.2,-4,;16.43,-2.66,;15.09,-1.89,;15.09,-.35,;13.76,.42,;12.43,-.35,;12.43,-1.89,;13.76,-2.66,;11.09,.42,;11.09,1.96,;9.76,2.73,;8.42,1.96,;8.42,.42,;7.09,-.35,;5.76,.42,;4.42,-.35,;4.42,-1.89,;3.09,.42,;1.76,-.35,;.42,.42,;-.91,-.35,;-2.25,.42,;-3.58,-.35,;-4.91,.42,;-6.25,-.35,;-7.58,.42,;-8.91,-.35,;-10.25,.42,;-11.58,-.35,;-12.91,.42,;-14.25,-.35,;-15.58,.42,;-16.92,-.35,;-18.25,.42,;-19.58,-.35,;-20.92,.42,;-22.25,-.35,;-23.58,.42,;-24.92,-.35,;-26.25,.42,;-27.59,-.35,;-28.92,.42,;-30.25,-.35,;-31.59,.42,;-32.92,-.35,;-34.25,.42,;-35.59,-.35,;-36.92,.42,;-38.25,-.35,;-39.59,.42,;-40.92,-.35,;-42.26,.42,;-43.59,-.35,;-44.92,.42,;-46.26,-.35,;-46.26,-1.89,;-47.59,.42,;-48.92,-.35,;-50.26,.42,;-51.59,-.35,;-52.93,.42,;-53.09,1.95,;-54.59,2.27,;-55.36,.94,;-56.77,.31,;-56.61,-1.22,;-57.75,-2.25,;-55.1,-1.54,;-54.33,-.21,;9.76,-.35,)|
Structure:
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