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Target
Lysine-specific histone demethylase 1A
Ligand
BDBM50517686
Substrate
n/a
Meas. Tech.
ChEMBL_1869472 (CHEMBL4370538)
IC50
146±n/a nM
Citation
 Wang, X; Su, M; Li, Y; Liu, T; Wang, Y; Chen, Y; Tang, L; He, YP; Ding, X; Yu, F; Shen, J; Li, J; Zhou, Y; Chen, YL; Xiong, B Tranylcypromine and 6-trifluoroethyl thienopyrimidine hybrid as LSD1 inhibitor. Bioorg Med Chem Lett 29:844-847 (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:
BDBM50517686
Synonyms:
CHEMBL4589914
Type:
Small organic molecule
Emp. Form.:
C23H23F5N4S
Mol. Mass.:
482.513
SMILES:
[H][C@@]1(CC[C@@H](CC1)Nc1ncnc2sc(CC(F)(F)F)cc12)N[C@@H]1C[C@H]1c1ccc(F)c(F)c1 |r,wU:4.7,23.25,1.0,wD:25.29,(28.47,-10.27,;29.95,-10.68,;31.29,-11.44,;32.63,-10.68,;32.62,-9.13,;31.29,-8.37,;29.96,-9.14,;33.96,-8.36,;33.96,-6.82,;32.62,-6.05,;32.62,-4.52,;33.95,-3.75,;35.29,-4.51,;36.76,-4.03,;37.67,-5.28,;39.21,-5.28,;39.98,-3.95,;40.68,-2.74,;41.57,-3.69,;39.41,-2.44,;36.76,-6.54,;35.29,-6.05,;28.62,-11.44,;28.62,-12.98,;27.85,-14.32,;29.38,-14.32,;30.7,-15.1,;30.7,-16.64,;32.02,-17.41,;33.36,-16.65,;34.69,-17.42,;33.36,-15.1,;34.7,-14.33,;32.03,-14.33,)|
Structure:
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