Reaction Details |
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Target | DNA (cytosine-5)-methyltransferase 1 |
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Ligand | BDBM582496 |
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Substrate/Competitor | n/a |
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Meas. Tech. | DNMT1 Inhibition Assay |
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IC50 | 1900±100 nM |
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Citation | Tyler, PC; Lamiable-Oulaidi, F; Woolhouse, AD; Gulab, SA; Shaffer, KJ; Khan, AA; Crump, DR; Schramm, VL; Du, Q Inhibitors of DNMT1 as anticancer therapeutic agents US Patent US11518779 Publication Date 12/6/2022 |
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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: | AIM | CXXC-type zinc finger protein 9 | CXXC9 | DNA (cytosine-5)-methyltransferase 1 (DNMT1) | DNA (cytosine-5)-methyltransferase 1 isoform b | DNA MTase HsaI | DNA methyltransferase HsaI | DNMT | DNMT1 | DNMT1_HUMAN | M.HsaI | MCMT |
Type: | Enzyme |
Mol. Mass.: | 183184.85 |
Organism: | Homo sapiens (Human) |
Description: | P26358 |
Residue: | 1616 |
Sequence: | MPARTAPARVPTLAVPAISLPDDVRRRLKDLERDSLTEKECVKEKLNLLHEFLQTEIKNQ
LCDLETKLRKEELSEEGYLAKVKSLLNKDLSLENGAHAYNREVNGRLENGNQARSEARRV
GMADANSPPKPLSKPRTPRRSKSDGEAKPEPSPSPRITRKSTRQTTITSHFAKGPAKRKP
QEESERAKSDESIKEEDKDQDEKRRRVTSRERVARPLPAEEPERAKSGTRTEKEEERDEK
EEKRLRSQTKEPTPKQKLKEEPDREARAGVQADEDEDGDEKDEKKHRSQPKDLAAKRRPE
EKEPEKVNPQISDEKDEDEKEEKRRKTTPKEPTEKKMARAKTVMNSKTHPPKCIQCGQYL
DDPDLKYGQHPPDAVDEPQMLTNEKLSIFDANESGFESYEALPQHKLTCFSVYCKHGHLC
PIDTGLIEKNIELFFSGSAKPIYDDDPSLEGGVNGKNLGPINEWWITGFDGGEKALIGFS
TSFAEYILMDPSPEYAPIFGLMQEKIYISKIVVEFLQSNSDSTYEDLINKIETTVPPSGL
NLNRFTEDSLLRHAQFVVEQVESYDEAGDSDEQPIFLTPCMRDLIKLAGVTLGQRRAQAR
RQTIRHSTREKDRGPTKATTTKLVYQIFDTFFAEQIEKDDREDKENAFKRRRCGVCEVCQ
QPECGKCKACKDMVKFGGSGRSKQACQERRCPNMAMKEADDDEEVDDNIPEMPSPKKMHQ
GKKKKQNKNRISWVGEAVKTDGKKSYYKKVCIDAETLEVGDCVSVIPDDSSKPLYLARVT
ALWEDSSNGQMFHAHWFCAGTDTVLGATSDPLELFLVDECEDMQLSYIHSKVKVIYKAPS
ENWAMEGGMDPESLLEGDDGKTYFYQLWYDQDYARFESPPKTQPTEDNKFKFCVSCARLA
EMRQKEIPRVLEQLEDLDSRVLYYSATKNGILYRVGDGVYLPPEAFTFNIKLSSPVKRPR
KEPVDEDLYPEHYRKYSDYIKGSNLDAPEPYRIGRIKEIFCPKKSNGRPNETDIKIRVNK
FYRPENTHKSTPASYHADINLLYWSDEEAVVDFKAVQGRCTVEYGEDLPECVQVYSMGGP
NRFYFLEAYNAKSKSFEDPPNHARSPGNKGKGKGKGKGKPKSQACEPSEPEIEIKLPKLR
TLDVFSGCGGLSEGFHQAGISDTLWAIEMWDPAAQAFRLNNPGSTVFTEDCNILLKLVMA
GETTNSRGQRLPQKGDVEMLCGGPPCQGFSGMNRFNSRTYSKFKNSLVVSFLSYCDYYRP
RFFLLENVRNFVSFKRSMVLKLTLRCLVRMGYQCTFGVLQAGQYGVAQTRRRAIILAAAP
GEKLPLFPEPLHVFAPRACQLSVVVDDKKFVSNITRLSSGPFRTITVRDTMSDLPEVRNG
ASALEISYNGEPQSWFQRQLRGAQYQPILRDHICKDMSALVAARMRHIPLAPGSDWRDLP
NIEVRLSDGTMARKLRYTHHDRKNGRSSSGALRGVCSCVEAGKACDPAARQFNTLIPWCL
PHTGNRHNHWAGLYGRLEWDGFFSTTVTNPEPMGKQGRVLHPEQHRVVSVRECARSQGFP
DTYRLFGNILDKHRQVGNAVPPPLAKAIGLEIKLCMLAKARESASAKIKEEEAAKD
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BDBM582496 |
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n/a |
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Name | BDBM582496 |
Synonyms: | US11518779, Compound 56 |
Type | Small organic molecule |
Emp. Form. | C25H36N10O9 |
Mol. Mass. | 620.6149 |
SMILES | N[C@@H](CCN(CCc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)nc1N)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)OC=O |r| |
Structure |
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