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Target
Glutathione S-transferase P/Lysine-specific histone demethylase 1A [158-852]
Ligand
BDBM254591
Substrate
n/a
Meas. Tech.
Biological Assay
pH
7.4±n/a
Temperature
310.15±n/a K
IC50
62±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:
BDBM254591
Synonyms:
US9469597, 50
Type:
Small organic molecule
Emp. Form.:
C28H30N4O2S
Mol. Mass.:
486.628
SMILES:
NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(cc1)-c1cccc(NS(=O)(=O)c2ccccc2C#N)c1 |r,wU:10.12,wD:8.8,(11.52,3.85,;10.18,3.08,;10.18,1.54,;8.85,.77,;7.52,1.54,;7.52,3.08,;8.85,3.85,;6.18,.77,;4.85,1.54,;4.08,2.87,;3.31,1.54,;1.98,.77,;.64,1.54,;-.69,.77,;-.69,-.77,;.64,-1.54,;1.98,-.77,;-2.03,-1.54,;-2.03,-3.08,;-3.36,-3.85,;-4.69,-3.08,;-4.69,-1.54,;-6.18,-.64,;-7.52,.13,;-6.75,1.47,;-8.29,1.47,;-8.85,-.64,;-8.85,-2.18,;-10.18,-2.95,;-11.52,-2.18,;-11.52,-.64,;-10.18,.13,;-10.18,1.67,;-10.18,3.21,;-3.36,-.77,)|
Structure:
Search PDB for entries with ligand similarity: