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Target
Glutathione S-transferase P/Lysine-specific histone demethylase 1A [158-852]
Ligand
BDBM254569
Substrate
n/a
Meas. Tech.
Biological Assay
pH
7.4±n/a
Temperature
310.15±n/a K
IC50
37±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:
FAEES3 | GST class-pi | GST3 | GSTP1 | GSTP1-1 | GSTP1_HUMAN | Glutathione S-transferase | Glutathione S-transferase (GST) | Glutathione S-transferase P | Glutathione S-transferase Pi | Glutathione transferase (GST)
Type:
Enzyme
Mol. Mass.:
23353.53
Organism:
Homo sapiens (Human)
Description:
P09211
Residue:
210
Sequence:
MPPYTVVYFPVRGRCAALRMLLADQGQSWKEEVVTVETWQEGSLKASCLYGQLPKFQDGDLTLYQSNTILRHLGRTLGLYGKDQQEAALVDMVNDGVEDLRCKYISLIYTNYEAGKDDYVKALPGQLKPFETLLSQNQGGKTFIVGDQISFADYNLLDLLLIHEVLAPGCLDAFPLLSAYVGRLSARPKLKAFLASPEYVNLPINGNGKQ
  
Component 2
Name:
Lysine-specific histone demethylase 1A [158-852]
Synonyms:
AOF2 | KDM1 | KDM1A | KDM1A_HUMAN | KIAA0601 | LSD1 | Lysine Specific Demethylase-1 (LSD1)
Type:
Enzyme
Mol. Mass.:
77140.81
Organism:
Homo sapiens (Human)
Description:
aa 158-852
Residue:
695
Sequence:
APPEEENESEPEEPSGVEGAAFQSRLPHDRMTSQEAACFPDIISGPQQTQKVFLFIRNRTLQLWLDNPKIQLTFEATLQQLEAPYNSDTVLVHRVHSYLERHGLINFGIYKRIKPLPTKKTGKVIIIGSGVSGLAAARQLQSFGMDVTLLEARDRVGGRVATFRKGNYVADLGAMVVTGLGGNPMAVVSKQVNMELAKIKQKCPLYEANGQAVPKEKDEMVEQEFNRLLEATSYLSHQLDFNVLNNKPVSLGQALEVVIQLQEKHVKDEQIEHWKKIVKTQEELKELLNKMVNLKEKIKELHQQYKEASEVKPPRDITAEFLVKSKHRDLTALCKEYDELAETQGKLEEKLQELEANPPSDVYLSSRDRQILDWHFANLEFANATPLSTLSLKHWDQDDDFEFTGSHLTVRNGYSCVPVALAEGLDIKLNTAVRQVRYTASGCEVIAVNTRSTSQTFIYKCDAVLCTLPLGVLKQQPPAVQFVPPLPEWKTSAVQRMGFGNLNKVVLCFDRVFWDPSVNLFGHVGSTTASRGELFLFWNLYKAPILLALVAGEAAGIMENISDDVIVGRCLAILKGIFGSSAVPQPKETVVSRWRADPWARGSYSYVAAGSSGNDYDLMAQPITPGPSIPGAPQPIPRLFFAGEHTIRNYPATVHGALLSGLREAGRIADQFLGAMYTLPRQATPGVPAQQSPSM
  
Inhibitor
Name:
BDBM254569
Synonyms:
US10214477, Example 28 | US9469597, 28 | US9670136, 28 N1-(2-(4-(trifluoromethyl)phenyl)cyclopropyl)cyclohexane-1,4-diamine
Type:
Small organic molecule
Emp. Form.:
C16H21F3N2
Mol. Mass.:
298.3465
SMILES:
NC1CCC(CC1)NC1CC1c1ccc(cc1)C(F)(F)F |(6.77,2.69,;5.44,1.92,;5.44,.38,;4.1,-.39,;2.77,.38,;2.77,1.92,;4.1,2.69,;1.44,-.38,;.1,.38,;-.67,1.72,;-1.44,.38,;-2.77,-.38,;-2.77,-1.93,;-4.1,-2.69,;-5.44,-1.93,;-5.44,-.38,;-4.1,.38,;-6.77,-2.69,;-8.11,-1.92,;-7.86,-3.78,;-6.37,-4.18,)|
Structure:
Search PDB for entries with ligand similarity: