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Target
Lysine-specific histone demethylase 1A
Ligand
BDBM50262026
Substrate
n/a
Meas. Tech.
ChEMBL_1696558 (CHEMBL4047448)
Kd
950±n/a nM
Citation
 Mould, DP; Bremberg, U; Jordan, AM; Geitmann, M; McGonagle, AE; Somervaille, TCP; Spencer, GJ; Ogilvie, DJ Development and evaluation of 4-(pyrrolidin-3-yl)benzonitrile derivatives as inhibitors of lysine specific demethylase 1. Bioorg Med Chem Lett 27:4755-4759 (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:
BDBM50262026
Synonyms:
CHEMBL4063365
Type:
Small organic molecule
Emp. Form.:
C25H30N4O2
Mol. Mass.:
418.5313
SMILES:
COc1ccc(cn1)[C@@H]1CN(C[C@H]1c1ccc(cc1)C#N)C(=O)C[C@@H]1CC[C@H](N)CC1 |r,wU:12.14,24.26,27.30,wD:8.8,(41.88,-24.7,;40.35,-24.52,;39.42,-25.77,;37.88,-25.59,;36.97,-26.82,;37.58,-28.24,;39.11,-28.42,;40.03,-27.19,;36.65,-29.47,;37.11,-30.95,;35.85,-31.85,;34.62,-30.91,;35.1,-29.45,;34.22,-28.19,;34.86,-26.79,;33.97,-25.53,;32.43,-25.68,;31.78,-27.08,;32.68,-28.34,;31.55,-24.42,;30.65,-23.14,;35.83,-33.39,;34.49,-34.14,;37.16,-34.17,;37.14,-35.71,;35.8,-36.46,;35.78,-37.99,;37.1,-38.78,;37.08,-40.31,;38.45,-38.02,;38.47,-36.48,)|
Structure:
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