Reaction Details |
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Target | Lysine-specific histone demethylase 1A |
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Ligand | BDBM50075574 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1686155 (CHEMBL4036634) |
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IC50 | 1100±n/a nM |
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Citation | Ding, L; Wang, ZZ; Sun, XD; Yang, J; Ma, CY; Li, W; Liu, HM 3D-QSAR (CoMFA, CoMSIA), molecular docking and molecular dynamics simulations study of 6-aryl-5-cyano-pyrimidine derivatives to explore the structure requirements of LSD1 inhibitors. Bioorg Med Chem Lett27:3521-3528 (2017) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Lysine-specific histone demethylase 1A |
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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
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BDBM50075574 |
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n/a |
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Name | BDBM50075574 |
Synonyms: | CHEMBL3415353 |
Type | Small organic molecule |
Emp. Form. | C16H14N6S2 |
Mol. Mass. | 354.453 |
SMILES | Cc1ccc(cc1)-c1nc(SCC#C)nc(NNC(N)=S)c1C#N |
Structure |
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