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TargetDNA (cytosine-5)-methyltransferase 1
LigandBDBM50256
Substrate/Competitorn/a
Meas. Tech.Dose response confirmation of DNMT1 inhibitors in a Fluorescent Molecular Beacon assay
IC50 3390±285 nM
Citation PubChem, PC Dose response confirmation of DNMT1 inhibitors in a Fluorescent Molecular Beacon assay PubChem Bioassay(2012)[AID]
More Info.:Get all data from this article,  Assay Method
 
DNA (cytosine-5)-methyltransferase 1
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
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50256
n/a
NameBDBM50256
Synonyms:(5E)-1-butyl-5-[(E)-3-(2-furanyl)prop-2-enylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione | (5E)-1-butyl-5-[(E)-3-(2-furyl)prop-2-enylidene]-2-thioxo-hexahydropyrimidine-4,6-quinone | (5E)-1-butyl-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione | 1-Butyl-5-[(E)-3-furan-2-yl-prop-2-en-(E)-ylidene]-2-thioxo-dihydro-pyrimidine-4,6-dione | MLS000587066 | SMR000211114 | cid_1595371
TypeSmall organic molecule
Emp. Form.C15H16N2O3S
Mol. Mass.304.364
SMILESCCCCN1C(=S)NC(=O)\C(=C/C=C/c2ccco2)C1=O
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: