Reaction Details |
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Target | DNA (cytosine-5)-methyltransferase 1 |
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Ligand | BDBM50031328 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1436389 (CHEMBL3389592) |
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IC50 | 20700±n/a nM |
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Citation | Chen, S; Wang, Y; Zhou, W; Li, S; Peng, J; Shi, Z; Hu, J; Liu, YC; Ding, H; Lin, Y; Li, L; Cheng, S; Liu, J; Lu, T; Jiang, H; Liu, B; Zheng, M; Luo, C Identifying novel selective non-nucleoside DNA methyltransferase 1 inhibitors through docking-based virtual screening. J Med Chem57:9028-41 (2014) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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DNA (cytosine-5)-methyltransferase 1 |
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Name: | DNA (cytosine-5)-methyltransferase 1 |
Synonyms: | DNA (cytosine-5)-methyltransferase 1 | DNA MTase MmuI | DNA methyltransferase MmuI | DNMT1_MOUSE | Dnmt | Dnmt | Dnmt1 | Met1 | Uim |
Type: | PROTEIN |
Mol. Mass.: | 183211.58 |
Organism: | Mus musculus |
Description: | ChEMBL_109519 |
Residue: | 1620 |
Sequence: | MPARTAPARVPALASPAGSLPDHVRRRLKDLERDGLTEKECVREKLNLLHEFLQTEIKSQ
LCDLETKLHKEELSEEGYLAKVKSLLNKDLSLENGTHTLTQKANGCPANGSRPTWRAEMA
DSNRSPRSRPKPRGPRRSKSDSDTLSVETSPSSVATRRTTRQTTITAHFTKGPTKRKPKE
ESEEGNSAESAAEERDQDKKRRVVDTESGAAAAVEKLEEVTAGTQLGPEEPCEQEDDNRS
LRRHTRELSLRRKSKEDPDREARPETHLDEDEDGKKDKRSSRPRSQPRDPAAKRRPKEAE
PEQVAPETPEDRDEDEREEKRRKTTRKKLESHTVPVQSRSERKAAQSKSVIPKINSPKCP
ECGQHLDDPNLKYQQHPEDAVDEPQMLTSEKLSIYDSTSTWFDTYEDSPMHRFTSFSVYC
SRGHLCPVDTGLIEKNVELYFSGCAKAIHDENPSMEGGINGKNLGPINQWWLSGFDGGEK
VLIGFSTAFAEYILMEPSKEYEPIFGLMQEKIYISKIVVEFLQNNPDAVYEDLINKIETT
VPPSTINVNRFTEDSLLRHAQFVVSQVESYDEAKDDDETPIFLSPCMRALIHLAGVSLGQ
RRATRRVMGATKEKDKAPTKATTTKLVYQIFDTFFSEQIEKYDKEDKENAMKRRRCGVCE
VCQQPECGKCKACKDMVKFGGTGRSKQACLKRRCPNLAVKEADDDEEADDDVSEMPSPKK
LHQGKKKKQNKDRISWLGQPMKIEENRTYYQKVSIDEEMLEVGDCVSVIPDDSSKPLYLA
RVTALWEDKNGQMMFHAHWFCAGTDTVLGATSDPLELFLVGECENMQLSYIHSKVKVIYK
APSENWAMEGGTDPETTLPGAEDGKTYFFQLWYNQEYARFESPPKTQPTEDNKHKFCLSC
IRLAELRQKEMPKVLEQIEEVDGRVYCSSITKNGVVYRLGDSVYLPPEAFTFNIKVASPV
KRPKKDPVNETLYPEHYRKYSDYIKGSNLDAPEPYRIGRIKEIHCGKKKGKVNEADIKLR
LYKFYRPENTHRSYNGSYHTDINMLYWSDEEAVVNFSDVQGRCTVEYGEDLLESIQDYSQ
GGPDRFYFLEAYNSKTKNFEDPPNHARSPGNKGKGKGKGKGKGKHQVSEPKEPEAAIKLP
KLRTLDVFSGCGGLSEGFHQAGISETLWAIEMWDPAAQAFRLNNPGTTVFTEDCNVLLKL
VMAGEVTNSLGQRLPQKGDVEMLCGGPPCQGFSGMNRFNSRTYSKFKNSLVVSFLSYCDY
YRPRFFLLENVRNFVSYRRSMVLKLTLRCLVRMGYQCTFGVLQAGQYGVAQTRRRAIILA
AAPGEKLPLFPEPLHVFAPRACQLSVVVDDKKFVSNITRLSSGPFRTITVRDTMSDLPEI
QNGASNSEIPYNGEPLSWFQRQLRGSHYQPILRDHICKDMSPLVAARMRHIPLFPGSDWR
DLPNIQVRLGDGVIAHKLQYTFHDVKNGYSSTGALRGVCSCAEGKACDPESRQFSTLIPW
CLPHTGNRHNHWAGLYGRLEWDGFFSTTVTNPEPMGKQGRVLHPEQHRVVSVRECARSQG
FPDSYRFFGNILDRHRQVGNAVPPPLAKAIGLEIKLCLLSSARESASAAVKAKEEAATKD
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BDBM50031328 |
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n/a |
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Name | BDBM50031328 |
Synonyms: | CHEMBL3358020 |
Type | Small organic molecule |
Emp. Form. | C23H24N2O |
Mol. Mass. | 344.4495 |
SMILES | OC(CNCCc1ccccc1)Cn1c2ccccc2c2ccccc12 |
Structure |
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