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Target
Glutathione S-transferase P/Lysine-specific histone demethylase 1A [158-852]
Ligand
BDBM254589
Substrate
n/a
Meas. Tech.
Biological Assay
pH
7.4±n/a
Temperature
310.15±n/a K
IC50
27±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:
BDBM254589
Synonyms:
US9469597, 48 | US9670136, 48 N-(4′-((trans)-2-((4-aminocyclohexyl)amino)cyclopropyl)-6-methoxy-[1,1′-biphenyl]-3-yl)methanesulfonamide
Type:
Small organic molecule
Emp. Form.:
C23H31N3O3S
Mol. Mass.:
429.576
SMILES:
COc1ccc(NS(C)(=O)=O)cc1-c1ccc(cc1)[C@H]1C[C@@H]1NC1CCC(N)CC1 |r,wU:19.20,wD:21.24,(-2.03,-3.2,;-3.37,-3.95,;-4.7,-3.17,;-6.1,-3.85,;-7.44,-3.08,;-7.44,-1.54,;-8.77,-.77,;-10.11,-1.54,;-11.44,-2.31,;-11.44,-.77,;-10.11,-3.08,;-6.1,-.77,;-4.77,-1.54,;-3.44,-.77,;-2.1,-1.54,;-.77,-.77,;-.77,.77,;-2.1,1.54,;-3.44,.77,;.56,1.54,;1.33,2.87,;2.1,1.54,;3.44,.77,;4.77,1.54,;6.1,.77,;7.44,1.54,;7.44,3.08,;8.77,3.85,;6.1,3.85,;4.77,3.08,)|
Structure:
Search PDB for entries with ligand similarity: