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Target
Glutathione S-transferase P/Lysine-specific histone demethylase 1A [158-852]
Ligand
BDBM254583
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:
BDBM254583
Synonyms:
US9469597, 42 | US9670136, 42 N1-((trans)-2-(4-(1H-indazol-6-yl)phenyl)cyclopropyl)cyclohexane-1,4-diamine
Type:
Small organic molecule
Emp. Form.:
C22H26N4
Mol. Mass.:
346.4686
SMILES:
NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(cc1)-c1ccc2cn[nH]c2c1 |r,wU:10.12,wD:8.8,(8.68,4.68,;7.34,3.91,;7.34,2.37,;6.01,1.6,;4.68,2.37,;4.68,3.91,;6.01,4.68,;3.34,1.6,;2.01,2.37,;1.24,3.71,;.47,2.37,;-.86,1.6,;-.86,.06,;-2.2,-.71,;-3.53,.06,;-3.53,1.6,;-2.2,2.37,;-4.87,-.71,;-6.2,.06,;-7.53,-.71,;-7.53,-2.25,;-8.68,-3.28,;-8.05,-4.68,;-6.52,-4.52,;-6.2,-3.02,;-4.87,-2.25,)|
Structure:
Search PDB for entries with ligand similarity: