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Target
Lysine-specific histone demethylase 1A
Ligand
BDBM50241538
Substrate
n/a
Meas. Tech.
ChEMBL_1669915 (CHEMBL4019803)
IC50
14200±n/a nM
Citation
 Mould, DP; Alli, C; Bremberg, U; Cartic, S; Jordan, AM; Geitmann, M; Maiques-Diaz, A; McGonagle, AE; Somervaille, TCP; Spencer, GJ; Turlais, F; Ogilvie, D Development of (4-Cyanophenyl)glycine Derivatives as Reversible Inhibitors of Lysine Specific Demethylase 1. J Med Chem 60:7984-7999 (2017) [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:
BDBM50241538
Synonyms:
CHEMBL4101011
Type:
Small organic molecule
Emp. Form.:
C23H26N4O3S
Mol. Mass.:
438.543
SMILES:
Cc1ccc(cc1)S(=O)(=O)N(CC(=O)N[C@@H]1CN2CCC1CC2)c1ccc(cc1)C#N |r,wU:15.15,(36.24,-5.68,;34.91,-6.46,;34.91,-8,;33.59,-8.77,;32.26,-8,;32.25,-6.47,;33.57,-5.69,;30.92,-8.77,;31.68,-10.1,;30.15,-10.09,;29.59,-8.01,;29.58,-6.47,;28.24,-5.7,;26.91,-6.48,;28.24,-4.16,;29.57,-3.39,;30.91,-4.15,;32.24,-3.38,;32.24,-1.84,;30.9,-1.07,;29.56,-1.85,;31.09,-1.84,;30.69,-3.33,;28.26,-8.78,;26.92,-8.02,;25.59,-8.79,;25.59,-10.34,;26.92,-11.11,;28.26,-10.33,;24.26,-11.11,;22.93,-11.88,)|
Structure:
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