Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetLysine-specific histone demethylase 1A/REST corepressor 1
LigandBDBM50236366
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1659154 (CHEMBL4008766)
IC50 160±n/a nM
Citation Sartori, LMercurio, CAmigoni, FCappa, AFagá, GFattori, RLegnaghi, ECiossani, GMattevi, AMeroni, GMoretti, LCecatiello, VPasqualato, SRomussi, AThaler, FTrifiró, PVilla, MVultaggio, SBotrugno, OADessanti, PMinucci, SZagarrí, ECarettoni, DIuzzolino, LVarasi, MVianello, P Thieno[3,2-b]pyrrole-5-carboxamides as New Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1. Part 1: High-Throughput Screening and Preliminary Exploration. J Med Chem60:1673-1692 (2017) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Lysine-specific histone demethylase 1A/REST corepressor 1
Name:Lysine-specific histone demethylase 1A/REST corepressor 1
Synonyms:LSD1/CoREST complex
Type:n/a
Mol. Mass.:n/a
Description:ASSAY_ID of ChEMBL is 1659159
Components:This complex has 2 components.
Component 1
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:
Component 2
Name:REST corepressor 1
Synonyms:KIAA0071 | Protein CoREST | RCOR | RCOR1 | RCOR1_HUMAN | REST corepressor 1
Type:PROTEIN
Mol. Mass.:53329.34
Organism:Homo sapiens (Human)
Description:ChEMBL_108118
Residue:485
Sequence:
MPAMVEKGPEVSGKRRGRNNAAASASAAAASAAASAACASPAATAASGAAASSASAAAAS
AAAAPNNGQNKSLAAAAPNGNSSSNSWEEGSSGSSSDEEHGGGGMRVGPQYQAVVPDFDP
AKLARRSQERDNLGMLVWSPNQNLSEAKLDEYIAIAKEKHGYNMEQALGMLFWHKHNIEK
SLADLPNFTPFPDEWTVEDKVLFEQAFSFHGKTFHRIQQMLPDKSIASLVKFYYSWKKTR
TKTSVMDRHARKQKREREESEDELEEANGNNPIDIEVDQNKESKKEVPPTETVPQVKKEK
HSTQAKNRAKRKPPKGMFLSQEDVEAVSANATAATTVLRQLDMELVSVKRQIQNIKQTNS
ALKEKLDGGIEPYRLPEVIQKCNARWTTEEQLLAVQAIRKYGRDFQAISDVIGNKSVVQV
KNFFVNYRRRFNIDEVLQEWEAEHGKEETNGPSNQKPVKSPDNSIKMPEEEDEAPVLDVR
YASAS
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50236366
n/a
NameBDBM50236366
Synonyms:CHEMBL4083038
TypeSmall organic molecule
Emp. Form.C26H27N3O3S
Mol. Mass.461.576
SMILESCn1c(cc2sccc12)C(=O)Nc1cccc(COc2ccc(OC3CCNCC3)cc2)c1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: