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Target
Lysine-specific histone demethylase 1A
Ligand
BDBM388925
Substrate
n/a
Meas. Tech.
Biochemical Assay
IC50
<50±n/a nM
Citation
 He, C; Li, Z; Wu, L; Yao, W; Zhang, F Heterocyclic compounds as LSD1 inhibitors US Patent  US9944647 Publication Date 4/17/2018 
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:
BDBM388925
Synonyms:
4-(8-(5-fluoro-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)-5-{[(3R)-1-methylpiperidin-3-yl]methoxy}imidazo[1,2-c]pyrimidin-7-yl)benzonitrile | US10800779, Example 45 | US11401272, Example 45 | US9944647, Example 45
Type:
Small organic molecule
Emp. Form.:
C28H25FN6O3
Mol. Mass.:
512.5349
SMILES:
CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3cc4oc(=O)n(C)c4cc3F)c3nccn23)C1 |r,wD:5.5,(9.29,.9,;7.96,1.67,;7.96,3.21,;6.62,3.98,;5.29,3.21,;5.29,1.67,;3.96,.9,;2.62,1.67,;1.29,.9,;-.05,1.67,;-1.38,.9,;-2.71,1.67,;-2.71,3.21,;-4.05,3.98,;-5.43,3.24,;-5.38,1.67,;-4.05,.9,;-6.76,4.01,;-8.1,4.78,;-1.38,-.64,;-2.71,-1.41,;-4.05,-.64,;-5.38,-1.41,;-6.84,-.93,;-7.75,-2.18,;-9.29,-2.18,;-6.84,-3.42,;-7.61,-4.75,;-5.38,-2.95,;-4.05,-3.72,;-2.71,-2.95,;-1.38,-3.72,;-.05,-1.41,;.27,-2.91,;1.81,-3.07,;2.43,-1.67,;1.29,-.64,;6.62,.9,)|
Structure:
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