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Target
Lysine-specific histone demethylase 1A
Ligand
BDBM50241517
Substrate
n/a
Meas. Tech.
ChEMBL_1669916 (CHEMBL4019804)
Kd
3600±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:
BDBM50241517
Synonyms:
CHEMBL4072551
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,wD:15.15,(17.25,-37.07,;15.92,-37.85,;15.92,-39.39,;14.6,-40.16,;13.27,-39.39,;13.25,-37.86,;14.58,-37.08,;11.93,-40.16,;12.69,-41.49,;11.16,-41.48,;10.6,-39.4,;10.59,-37.86,;9.25,-37.09,;7.92,-37.87,;9.25,-35.55,;10.58,-34.78,;11.92,-35.54,;13.25,-34.77,;13.25,-33.23,;11.91,-32.46,;10.57,-33.24,;12.1,-33.23,;11.7,-34.72,;9.26,-40.17,;7.93,-39.41,;6.6,-40.18,;6.6,-41.72,;7.93,-42.5,;9.27,-41.72,;5.27,-42.5,;3.93,-43.27,)|
Structure:
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