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Target
Lysine-specific histone demethylase 1A
Ligand
BDBM50503505
Substrate
n/a
Meas. Tech.
ChEMBL_1811033 (CHEMBL4310493)
IC50
4.0±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:
BDBM50503505
Synonyms:
CHEMBL4516248 | US10626103, Example 49
Type:
Small organic molecule
Emp. Form.:
C25H23F2N7O
Mol. Mass.:
475.4932
SMILES:
CN[C@H]1CCN(C1)C(=O)c1nc(-c2ccc(C#N)c(F)c2)n(c1C)-c1cc2cn(C)nc2cc1F |r,wU:2.1,(54.64,-1.99,;53.31,-2.77,;53.32,-4.31,;54.65,-5.08,;54.33,-6.59,;52.81,-6.75,;52.17,-5.35,;52.04,-8.09,;52.81,-9.42,;50.5,-8.09,;49.63,-6.81,;48.16,-7.25,;46.82,-6.48,;45.49,-7.25,;44.16,-6.49,;44.15,-4.94,;42.82,-4.18,;41.48,-3.41,;45.49,-4.16,;45.49,-2.62,;46.82,-4.93,;48.11,-8.79,;49.56,-9.31,;49.99,-10.78,;46.78,-9.56,;45.45,-8.8,;44.11,-9.57,;42.65,-9.1,;41.75,-10.35,;40.21,-10.36,;42.66,-11.59,;44.12,-11.11,;45.45,-11.88,;46.79,-11.11,;48.12,-11.88,)|
Structure:
Search PDB for entries with ligand similarity: