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Target
Lysine-specific histone demethylase 1A
Ligand
BDBM50545729
Substrate
n/a
Meas. Tech.
ChEMBL_1996278 (CHEMBL4630173)
EC50
52±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:
BDBM50545729
Synonyms:
CHEMBL4646795
Type:
Small organic molecule
Emp. Form.:
C20H30N2O
Mol. Mass.:
314.465
SMILES:
[H][C@@]1(CC[C@@]([H])(CC1)N[C@@H]1C[C@H]1\C(C)=C\c1ccccc1)NCCO |r,wU:4.4,9.9,wD:1.0,11.13,(68.49,-7.91,;68.49,-9.45,;68.49,-11,;67.16,-11.76,;65.83,-11,;65.83,-12.54,;65.83,-9.45,;67.16,-8.68,;64.5,-11.76,;63.16,-11,;62.39,-9.66,;61.62,-11,;60.29,-11.76,;60.29,-13.3,;58.95,-11,;57.62,-11.76,;56.28,-10.99,;54.96,-11.77,;54.96,-13.3,;56.3,-14.07,;57.62,-13.3,;69.83,-8.68,;71.16,-9.45,;72.5,-8.68,;73.83,-9.45,)|
Structure:
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