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Target
Lysine-specific histone demethylase 1A
Ligand
BDBM50517680
Substrate
n/a
Meas. Tech.
ChEMBL_1869472 (CHEMBL4370538)
IC50
66±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:
BDBM50517680
Synonyms:
CHEMBL4533143
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,wD:25.29,1.0,(47.64,-31.55,;49.12,-31.95,;50.46,-32.71,;51.8,-31.95,;51.79,-30.41,;50.46,-29.64,;49.14,-30.41,;53.13,-29.64,;53.13,-28.1,;51.79,-27.33,;51.8,-25.79,;53.12,-25.02,;54.46,-25.78,;55.93,-25.3,;56.84,-26.55,;58.38,-26.55,;59.15,-25.22,;59.85,-24.01,;60.74,-24.96,;58.59,-23.72,;55.94,-27.81,;54.46,-27.33,;47.79,-32.71,;47.79,-34.25,;47.02,-35.59,;48.56,-35.6,;49.87,-36.37,;49.87,-37.91,;51.2,-38.68,;52.53,-37.92,;53.86,-38.7,;52.53,-36.37,;53.87,-35.6,;51.21,-35.6,)|
Structure:
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