Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetLysine-specific histone demethylase 1A
LigandBDBM283239
Substrate/Competitorn/a
Meas. Tech.In Vitro Enzyme Inhibition LSD-1 Assay
Temperature298.15±n/a K
IC50<100±n/a nM
Commentsextracted
Citation Chen, YKKanouni, TKaldor, SWStafford, JAVeal, JM Inhibitors of lysine specific demethylase-1 US Patent US10023543 Publication Date 7/17/2018
More Info.:Get all data from this article,  Assay Method
 
Lysine-specific histone demethylase 1A
Name:Lysine-specific histone demethylase 1A
Synonyms:AOF2 | BRAF35-HDAC complex protein BHC110 | Flavin-containing amine oxidase domain-containing protein 2 | KDM1 | KDM1A | KDM1A_HUMAN | KIAA0601 | LSD1 | Lysine-specific demethylase 1 (LSD1) | Lysine-specific histone demethylase 1 | Lysine-specific histone demethylase 1 (LSD1)
Type:Enzyme
Mol. Mass.:92901.01
Organism:Homo sapiens (Human)
Description:O60341
Residue:852
Sequence:
MLSGKKAAAAAAAAAAAATGTEAGPGTAGGSENGSEVAAQPAGLSGPAEVGPGAVGERTP
RKKEPPRASPPGGLAEPPGSAGPQAGPTVVPGSATPMETGIAETPEGRRTSRRKRAKVEY
REMDESLANLSEDEYYSEEERNAKAEKEKKLPPPPPQAPPEEENESEPEEPSGVEGAAFQ
SRLPHDRMTSQEAACFPDIISGPQQTQKVFLFIRNRTLQLWLDNPKIQLTFEATLQQLEA
PYNSDTVLVHRVHSYLERHGLINFGIYKRIKPLPTKKTGKVIIIGSGVSGLAAARQLQSF
GMDVTLLEARDRVGGRVATFRKGNYVADLGAMVVTGLGGNPMAVVSKQVNMELAKIKQKC
PLYEANGQAVPKEKDEMVEQEFNRLLEATSYLSHQLDFNVLNNKPVSLGQALEVVIQLQE
KHVKDEQIEHWKKIVKTQEELKELLNKMVNLKEKIKELHQQYKEASEVKPPRDITAEFLV
KSKHRDLTALCKEYDELAETQGKLEEKLQELEANPPSDVYLSSRDRQILDWHFANLEFAN
ATPLSTLSLKHWDQDDDFEFTGSHLTVRNGYSCVPVALAEGLDIKLNTAVRQVRYTASGC
EVIAVNTRSTSQTFIYKCDAVLCTLPLGVLKQQPPAVQFVPPLPEWKTSAVQRMGFGNLN
KVVLCFDRVFWDPSVNLFGHVGSTTASRGELFLFWNLYKAPILLALVAGEAAGIMENISD
DVIVGRCLAILKGIFGSSAVPQPKETVVSRWRADPWARGSYSYVAAGSSGNDYDLMAQPI
TPGPSIPGAPQPIPRLFFAGEHTIRNYPATVHGALLSGLREAGRIADQFLGAMYTLPRQA
TPGVPAQQSPSM
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM283239
n/a
NameBDBM283239
Synonyms:4-[2-((3R)-3-aminopyrrolidinyl)- 5-(3-fluoro-4-methoxyphenyl)- 1-methyl-6-oxohydropyrimidin- 4-yl]-2-fluorobenzenecarbonitrile | US10023543, Example 27 | US10207999, Example 27 | US10328077, Example 27 | US10548896, Example 27 | US10849898, Example 27 | US10960005, Example 27 | US11084793, Example 27 | US9573930, Example 27 | US9771329, Example 27 | US9776974, Example 27
TypeSmall organic molecule
Emp. Form.C23H21F2N5O2
Mol. Mass.437.4419
SMILESCOc1ccc(cc1F)-c1c(nc(N2CC[C@@H](N)C2)n(C)c1=O)-c1ccc(C#N)c(F)c1 |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: