Target
Lysine-specific histone demethylase 1A
Ligand
BDBM439017
Substrate
n/a
Meas. Tech.
FL-LSD1 LC-MS Assay
IC50
135±n/a nM
Citation
 Du-Cuny, LXiao, QXun, GZheng, Q Substituted 5-cyanoindole compounds and uses thereof US Patent  US10604502 Publication Date 3/31/2020 
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:
BDBM439017
Synonyms:
US10604502, Ex # 5
Type:
Small organic molecule
Emp. Form.:
C21H21FN4O
Mol. Mass.:
364.416
SMILES:
Cc1cc2n(cc(-c3cncc(N)c3F)c2cc1C#N)[C@H]1CC[C@H](O)CC1 |r,wU:20.22,wD:23.26,(-4.05,-.81,;-2.71,-.04,;-1.38,-.81,;-.05,-.04,;1.42,-.51,;2.32,.73,;1.42,1.98,;1.89,3.44,;.86,4.59,;1.34,6.05,;2.85,6.37,;3.88,5.23,;5.38,5.55,;3.4,3.76,;4.43,2.62,;-.05,1.5,;-1.38,2.27,;-2.71,1.5,;-4.05,2.27,;-5.38,3.04,;1.89,-1.98,;3.4,-2.3,;3.88,-3.76,;2.85,-4.91,;3.32,-6.37,;1.34,-4.59,;.86,-3.12,)|
Structure:
Search PDB for entries with ligand similarity: