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Target
Lysine-specific histone demethylase 1A
Ligand
BDBM50545731
Substrate
n/a
Meas. Tech.
ChEMBL_1996278 (CHEMBL4630173)
EC50
327±n/a nM
Citation
 Gehling, VS; McGrath, JP; Duplessis, M; Khanna, A; Brucelle, F; Vaswani, RG; Côté, A; Stuckey, J; Watson, V; Cummings, RT; Balasubramanian, S; Iyer, P; Sawant, P; Good, AC; Albrecht, BK; Harmange, JC; Audia, JE; Bellon, SF; Trojer, P; Levell, JR Design and Synthesis of Styrenylcyclopropylamine LSD1 Inhibitors. ACS Med Chem Lett 11:1213-1220 (2020) [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:
BDBM50545731
Synonyms:
CHEMBL4644039
Type:
Small organic molecule
Emp. Form.:
C18H25NO
Mol. Mass.:
271.3972
SMILES:
[H][C@]1(O)CC[C@@]([H])(CC1)N[C@@H]1C[C@H]1\C(C)=C\c1ccccc1 |r,wU:5.5,10.10,wD:1.0,12.14,(43.31,-17.29,;43.31,-18.83,;44.64,-18.05,;43.31,-20.37,;41.98,-21.13,;40.64,-20.37,;40.64,-21.91,;40.64,-18.83,;41.98,-18.05,;39.31,-21.13,;37.98,-20.37,;37.21,-19.03,;36.44,-20.37,;35.11,-21.13,;35.11,-22.67,;33.77,-20.37,;32.44,-21.13,;31.1,-20.36,;29.77,-21.14,;29.77,-22.67,;31.11,-23.44,;32.44,-22.67,)|
Structure:
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