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TargetLysine-specific histone demethylase 1A
LigandBDBM504313
Substrate/Competitorn/a
Meas. Tech.Inhibition Assay
IC50 210±n/a nM
Citation Carceller González, EMaes, TMascaro Crusat, COrtega Muñoz, A Methods to determine KDM1A target engagement and chemoprobes useful therefor US Patent US11034991 Publication Date 6/15/2021
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 | 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:
BDBM504313
NameBDBM504313
Synonyms:N-(27-(4'-((trans)-2-(((trans)-4- | US11034991, Example 1.2
TypeSmall organic molecule
Emp. Form.C50H78N6O10S
Mol. Mass.955.254
SMILESN[C@H]1CC[C@@H](CC1)N[C@@H]1C[C@H]1c1ccc(cc1)-c1cccc(CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)c1 |r,wU:60.63,65.67,57.59,10.12,4.7,wD:8.8,1.0,(25.06,-4.86,;23.73,-4.09,;23.73,-2.55,;22.39,-1.78,;21.06,-2.55,;21.06,-4.09,;22.39,-4.86,;19.73,-1.78,;18.39,-2.55,;17.62,-3.89,;16.85,-2.55,;15.52,-1.78,;15.52,-.24,;14.18,.53,;12.85,-.24,;12.85,-1.78,;14.18,-2.55,;11.52,.53,;11.52,2.07,;10.18,2.84,;8.85,2.07,;8.85,.53,;7.52,-.24,;6.18,.53,;4.85,-.24,;4.85,-1.78,;3.52,.53,;2.18,-.24,;.85,.53,;-.49,-.24,;-1.82,.53,;-3.15,-.24,;-4.49,.53,;-5.82,-.24,;-7.15,.53,;-8.49,-.24,;-9.82,.53,;-11.16,-.24,;-12.49,.53,;-13.82,-.24,;-15.16,.53,;-16.49,-.24,;-17.82,.53,;-19.16,-.24,;-20.49,.53,;-21.82,-.24,;-23.16,.53,;-24.49,-.24,;-25.83,.53,;-27.16,-.24,;-28.49,.53,;-29.83,-.24,;-29.83,-1.78,;-31.16,.53,;-32.49,-.24,;-33.83,.53,;-35.16,-.24,;-36.5,.53,;-36.66,2.06,;-38.16,2.38,;-38.93,1.05,;-40.34,.42,;-40.18,-1.11,;-41.32,-2.14,;-38.67,-1.43,;-37.9,-.1,;10.18,-.24,)|
Structure
n/a