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Target
Lysine-specific histone demethylase 1A
Ligand
BDBM50517682
Substrate
n/a
Meas. Tech.
ChEMBL_1869472 (CHEMBL4370538)
IC50
109±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:
BDBM50517682
Synonyms:
CHEMBL4520948
Type:
Small organic molecule
Emp. Form.:
C24H27F3N4S
Mol. Mass.:
460.558
SMILES:
FC(F)(F)Cc1cc2c(N[C@H]3CC[C@H](CN[C@@H]4C[C@H]4c4ccccc4)CC3)ncnc2s1 |r,wU:13.13,16.15,wD:10.9,18.19,(22.9,-3.07,;22.2,-4.28,;23.79,-4.02,;21.63,-2.78,;21.43,-5.62,;19.89,-5.62,;18.98,-6.87,;17.51,-6.39,;16.18,-7.16,;16.18,-8.7,;14.84,-9.47,;13.51,-8.7,;12.18,-9.47,;12.17,-11.01,;10.84,-11.78,;9.51,-11,;8.17,-11.77,;6.63,-11.77,;7.39,-13.1,;7.39,-14.64,;6.05,-15.4,;6.05,-16.94,;7.38,-17.72,;8.72,-16.94,;8.72,-15.41,;13.51,-11.78,;14.85,-11.01,;14.84,-6.39,;14.84,-4.85,;16.17,-4.08,;17.51,-4.84,;18.98,-4.36,)|
Structure:
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