Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetGlutathione S-transferase P/Lysine-specific histone demethylase 1A [158-852]
LigandBDBM254553
Substrate/Competitorn/a
Meas. Tech.Biological Assay
pH7.4±n/a
Temperature310.15±n/a K
Ki 50±n/a nM
Commentsextracted
Citation Ortega Muñoz, AFyfe, MCMartinell Pedemonte, MEstiarte Martínez, MValls Vidal, NKurz, GCastro Palomino Laria, JC (Hetero)aryl cyclopropylamine compounds as LSD1 inhibitors US Patent US9469597 Publication Date 10/18/2016
More Info.:Get all data from this article,  Assay Method
 
Glutathione S-transferase P/Lysine-specific histone demethylase 1A [158-852]
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:
MPPYTVVYFPVRGRCAALRMLLADQGQSWKEEVVTVETWQEGSLKASCLYGQLPKFQDGD
LTLYQSNTILRHLGRTLGLYGKDQQEAALVDMVNDGVEDLRCKYISLIYTNYEAGKDDYV
KALPGQLKPFETLLSQNQGGKTFIVGDQISFADYNLLDLLLIHEVLAPGCLDAFPLLSAY
VGRLSARPKLKAFLASPEYVNLPINGNGKQ
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
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:
APPEEENESEPEEPSGVEGAAFQSRLPHDRMTSQEAACFPDIISGPQQTQKVFLFIRNRT
LQLWLDNPKIQLTFEATLQQLEAPYNSDTVLVHRVHSYLERHGLINFGIYKRIKPLPTKK
TGKVIIIGSGVSGLAAARQLQSFGMDVTLLEARDRVGGRVATFRKGNYVADLGAMVVTGL
GGNPMAVVSKQVNMELAKIKQKCPLYEANGQAVPKEKDEMVEQEFNRLLEATSYLSHQLD
FNVLNNKPVSLGQALEVVIQLQEKHVKDEQIEHWKKIVKTQEELKELLNKMVNLKEKIKE
LHQQYKEASEVKPPRDITAEFLVKSKHRDLTALCKEYDELAETQGKLEEKLQELEANPPS
DVYLSSRDRQILDWHFANLEFANATPLSTLSLKHWDQDDDFEFTGSHLTVRNGYSCVPVA
LAEGLDIKLNTAVRQVRYTASGCEVIAVNTRSTSQTFIYKCDAVLCTLPLGVLKQQPPAV
QFVPPLPEWKTSAVQRMGFGNLNKVVLCFDRVFWDPSVNLFGHVGSTTASRGELFLFWNL
YKAPILLALVAGEAAGIMENISDDVIVGRCLAILKGIFGSSAVPQPKETVVSRWRADPWA
RGSYSYVAAGSSGNDYDLMAQPITPGPSIPGAPQPIPRLFFAGEHTIRNYPATVHGALLS
GLREAGRIADQFLGAMYTLPRQATPGVPAQQSPSM
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM254553
n/a
NameBDBM254553
Synonyms:US9469597, 12 | US9670136, 12 4-(((trans)-2-(6-(3-(trifluoromethyl)phenyl)pyridin-3-yl)cyclopropyl)amino)cyclohexanecarboxamide
TypeSmall organic molecule
Emp. Form.C22H24F3N3O
Mol. Mass.403.4407
SMILESNC(=O)C1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(c1)C(F)(F)F |r,wU:12.14,wD:10.10,(8.88,3.85,;7.54,4.62,;7.54,6.16,;6.21,3.85,;6.21,2.31,;4.87,1.54,;3.54,2.31,;3.54,3.85,;4.87,4.62,;2.21,1.54,;.87,2.31,;.1,3.64,;-.67,2.31,;-2,1.54,;-3.33,2.31,;-4.67,1.54,;-4.67,,;-3.33,-.77,;-2,,;-6,-.77,;-7.34,,;-8.67,-.77,;-8.67,-2.31,;-7.34,-3.14,;-6,-2.31,;-7.34,-4.68,;-7.34,-6.22,;-8.88,-4.68,;-5.8,-4.68,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: