Reaction Details Report a problem with these data
Target
Lysine-specific histone demethylase 1A
Ligand
BDBM283286
Substrate
n/a
Meas. Tech.
In Vitro Enzyme Inhibition LSD-1 Assay
Temperature
298.15±n/a K
IC50
<100±n/a nM
Comments
extracted
Citation
 Chen, YK; Kanouni, T; Kaldor, SW; Stafford, JA; Veal, JM Inhibitors of lysine specific demethylase-1 US Patent  US10023543 Publication Date 7/17/2018 
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:
BDBM283286
Synonyms:
4-[2-(3-aminomethyl-azetidin-1-yl)- 5-(4-methoxy-phenyl)-1-methyl-6- oxo-1,6-dihydro-pyrimidin-4-yl]- 2-fluoro-benzonitrile | US10023543, Example 69 | US10207999, Example 69 | US10328077, Example 69 | US10548896, Example 69 | US10849898, Example 69 | US10960005, Example 69 | US11084793, Example 69 | US9573930, Example 69 | US9771329, Example 69 | US9776974, Example 69
Type:
Small organic molecule
Emp. Form.:
C23H22FN5O2
Mol. Mass.:
419.4515
SMILES:
COc1ccc(cc1)-c1c(nc(N2CC(CN)C2)n(C)c1=O)-c1ccc(C#N)c(F)c1
Structure:
Search PDB for entries with ligand similarity: