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Target
Lysine-specific histone demethylase 1A
Ligand
BDBM50503513
Substrate
n/a
Meas. Tech.
ChEMBL_1811033 (CHEMBL4310493)
IC50
10.0±n/a nM
Citation
 Nie, Z; Shi, L; Lai, C; Severin, C; Xu, J; Del Rosario, JR; Stansfield, RK; Cho, RW; Kanouni, T; Veal, JM; Stafford, JA; Chen, YK Structure-based design and discovery of potent and selective lysine-specific demethylase 1 (LSD1) inhibitors. Bioorg Med Chem Lett 29:103-106 (2019) [PubMed]  Article
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:
BDBM50503513
Synonyms:
CHEMBL4453520 | US10626103, Example 48
Type:
Small organic molecule
Emp. Form.:
C26H25F2N7O
Mol. Mass.:
489.5198
SMILES:
CN(C)[C@H]1CCN(C1)C(=O)c1nc(-c2ccc(C#N)c(F)c2)n(c1C)-c1cc2cn(C)nc2cc1F |r,wU:3.2,(71.62,-2.08,;70.3,-2.85,;68.96,-2.09,;70.3,-4.4,;71.64,-5.17,;71.32,-6.67,;69.8,-6.84,;69.16,-5.43,;69.03,-8.17,;69.8,-9.51,;67.49,-8.18,;66.62,-6.9,;65.15,-7.33,;63.81,-6.56,;62.48,-7.34,;61.15,-6.57,;61.14,-5.02,;59.81,-4.26,;58.47,-3.5,;62.48,-4.25,;62.47,-2.71,;63.81,-5.02,;65.1,-8.87,;66.54,-9.39,;66.97,-10.87,;63.77,-9.65,;62.44,-8.88,;61.1,-9.66,;59.63,-9.19,;58.73,-10.44,;57.19,-10.44,;59.64,-11.68,;61.11,-11.2,;62.44,-11.97,;63.78,-11.2,;65.11,-11.96,)|
Structure:
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