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Target
Glutathione S-transferase P/Lysine-specific histone demethylase 1A [158-852]
Ligand
BDBM254574
Substrate
n/a
Meas. Tech.
Biological Assay
pH
7.4000±n/a
Temperature
310.1500±n/a K
IC50
21±n/a nM
Comments
extracted
Citation
 Ortega Muñoz, A; Fyfe, MC; Martinell Pedemonte, M; Estiarte Martínez, M; Valls Vidal, N; Kurz, G; Castro Palomino Laria, JC (Hetero)aryl cyclopropylamine compounds as LSD1 inhibitors US Patent  US9469597 Publication Date 10/18/2016 
Target
Name:
Glutathione S-transferase P/Lysine-specific histone demethylase 1A [158-852]
Synonyms:
GST-Lysine Specific Demethylase-1 (LSD1)
Type:
Enzyme
Mol. Mass.:
n/a
Description:
n/a
Components:
This complex has 2 components.
Component 1
Name:
Glutathione S-transferase P
Synonyms:
GST class-pi | Glutathione S-transferase P | Glutathione S-transferase (GST) | GSTP1-1 | Glutathione S-transferase | GSTP1_HUMAN | GSTP1 | FAEES3 | GST3 | Glutathione S-transferase Pi | Glutathione transferase (GST)
Type:
Enzyme
Mol. Mass.:
23353.53
Organism:
Human
Description:
P09211
Residue:
210
Sequence:
MPPYTVVYFPVRGRCAALRMLLADQGQSWKEEVVTVETWQEGSLKASCLYGQLPKFQDGDLTLYQSNTILRHLGRTLGLYGKDQQEAALVDMVNDGVEDLRCKYISLIYTNYEAGKDDYVKALPGQLKPFETLLSQNQGGKTFIVGDQISFADYNLLDLLLIHEVLAPGCLDAFPLLSAYVGRLSARPKLKAFLASPEYVNLPINGNGKQ
  
Component 2
Name:
Lysine-specific histone demethylase 1A [158-852]
Synonyms:
Lysine Specific Demethylase-1 (LSD1) | KDM1A_HUMAN | KDM1A | AOF2 | KDM1 | KIAA0601 | LSD1
Type:
Enzyme
Mol. Mass.:
77140.81
Organism:
Human
Description:
aa 158-852
Residue:
695
Sequence:
APPEEENESEPEEPSGVEGAAFQSRLPHDRMTSQEAACFPDIISGPQQTQKVFLFIRNRTLQLWLDNPKIQLTFEATLQQLEAPYNSDTVLVHRVHSYLERHGLINFGIYKRIKPLPTKKTGKVIIIGSGVSGLAAARQLQSFGMDVTLLEARDRVGGRVATFRKGNYVADLGAMVVTGLGGNPMAVVSKQVNMELAKIKQKCPLYEANGQAVPKEKDEMVEQEFNRLLEATSYLSHQLDFNVLNNKPVSLGQALEVVIQLQEKHVKDEQIEHWKKIVKTQEELKELLNKMVNLKEKIKELHQQYKEASEVKPPRDITAEFLVKSKHRDLTALCKEYDELAETQGKLEEKLQELEANPPSDVYLSSRDRQILDWHFANLEFANATPLSTLSLKHWDQDDDFEFTGSHLTVRNGYSCVPVALAEGLDIKLNTAVRQVRYTASGCEVIAVNTRSTSQTFIYKCDAVLCTLPLGVLKQQPPAVQFVPPLPEWKTSAVQRMGFGNLNKVVLCFDRVFWDPSVNLFGHVGSTTASRGELFLFWNLYKAPILLALVAGEAAGIMENISDDVIVGRCLAILKGIFGSSAVPQPKETVVSRWRADPWARGSYSYVAAGSSGNDYDLMAQPITPGPSIPGAPQPIPRLFFAGEHTIRNYPATVHGALLSGLREAGRIADQFLGAMYTLPRQATPGVPAQQSPSM
  
Inhibitor
Name:
BDBM254574
Synonyms:
US9670136, 33 N1-(2-(naphthalen-2-yl)cyclopropyl)cyclohexane-1,4-diamine | US9469597, 33 | US10214477, Example 33
Type:
Small organic molecule
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
NC1CCC(CC1)NC1CC1c1ccc2ccccc2c1 |(6.77,3.85,;5.44,3.08,;5.44,1.54,;4.1,.77,;2.77,1.54,;2.77,3.08,;4.1,3.85,;1.44,.77,;.1,1.54,;-.67,2.87,;-1.44,1.54,;-2.77,.77,;-4.1,1.54,;-5.44,.77,;-5.44,-.77,;-6.77,-1.54,;-6.77,-3.08,;-5.44,-3.85,;-4.1,-3.08,;-4.1,-1.54,;-2.77,-.77,)|
Structure:
Search PDB for entries with ligand similarity: