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TargetLSD1/CoREST complex
LigandBDBM50236441
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1659178
IC50 8.4±n/a nM
Citation Vianello, PSartori, LAmigoni, FCappa, AFagá, GFattori, RLegnaghi, ECiossani, GMattevi, AMeroni, GMoretti, LCecatiello, VPasqualato, SRomussi, AThaler, FTrifiró, PVilla, MBotrugno, OADessanti, PMinucci, SVultaggio, SZagarrí, EVarasi, MMercurio, C Thieno[3,2-b]pyrrole-5-carboxamides as New Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1. Part 2: Structure-Based Drug Design and Structure-Activity Relationship. J Med Chem60:1693-1715 (2017) [PubMed]
More Info.:Get all data from this article,  Assay Method
 
LSD1/CoREST complex
Name:LSD1/CoREST complex
Synonyms:n/a
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 | 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
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Component 2
Name:REST corepressor 1
Synonyms:KIAA0071 | Protein CoREST | RCOR | RCOR1 | 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
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BDBM50236441
NameBDBM50236441
Synonyms:CHEMBL4072541
TypeSmall organic molecule
Emp. Form.C28H31N3O4S
Mol. Mass.505.628
SMILESCOCc1cccc(NC(=O)c2cc3sccc3n2C)c1COc1ccc(OC[C@@H]2CCNC2)cc1 |r|
Structure
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n/a