| Reaction Details |
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 | Report a problem with these data |
| Target | DNA (cytosine-5)-methyltransferase 1 |
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| Ligand | BDBM50575640 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2125716 (CHEMBL4835061) |
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| IC50 | >10.0±n/a nM |
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| Citation |  Rabal, O; San José-Enériz, E; Agirre, X; Sánchez-Arias, JA; de Miguel, I; Ordoñez, R; Garate, L; Miranda, E; Sáez, E; Vilas-Zornoza, A; Pineda-Lucena, A; Estella, A; Zhang, F; Wu, W; Xu, M; Prosper, F; Oyarzabal, J Design and Synthesis of Novel Epigenetic Inhibitors Targeting Histone Deacetylases, DNA Methyltransferase 1, and Lysine Methyltransferase G9a with J Med Chem64:3392-3426 (2021) [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 |
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| 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 |
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| Type: | Enzyme |
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| Mol. Mass.: | 183184.85 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P26358 |
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| Residue: | 1616 |
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| 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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| BDBM50575640 |
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| n/a |
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| Name | BDBM50575640 |
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| Synonyms: | CHEMBL4850570 |
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| Type | Small organic molecule |
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| Emp. Form. | C28H32N6O5 |
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| Mol. Mass. | 532.5909 |
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| SMILES | COc1cc2nc(cc(NCC3CCN(CC3)c3ncc(cn3)C(=O)NO)c2cc1OC)-c1cc(C)oc1C |
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| Structure | 
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