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Target
DNA (cytosine-5)-methyltransferase 1
Ligand
BDBM89189
Substrate
n/a
Meas. Tech.
Dose response confirmation of DNMT1 inhibitors in a Fluorescent Molecular Beacon assay
IC50
8430±376 nM
Citation
 PubChem, PC Dose response confirmation of DNMT1 inhibitors in a Fluorescent Molecular Beacon assay PubChem Bioassay (2012)[AID] 
Target
Name:
DNA (cytosine-5)-methyltransferase 1
Synonyms:
DNMT1_HUMAN | DNMT1 | AIM | CXXC9 | DNMT | DNA (cytosine-5)-methyltransferase 1 (DNMT1) | CXXC-type zinc finger protein 9 | DNA (cytosine-5)-methyltransferase 1 isoform b | DNA MTase HsaI | DNA methyltransferase HsaI | M.HsaI | MCMT
Type:
Enzyme
Mol. Mass.:
183184.85
Organism:
Human
Description:
P26358
Residue:
1616
Sequence:
MPARTAPARVPTLAVPAISLPDDVRRRLKDLERDSLTEKECVKEKLNLLHEFLQTEIKNQLCDLETKLRKEELSEEGYLAKVKSLLNKDLSLENGAHAYNREVNGRLENGNQARSEARRVGMADANSPPKPLSKPRTPRRSKSDGEAKPEPSPSPRITRKSTRQTTITSHFAKGPAKRKPQEESERAKSDESIKEEDKDQDEKRRRVTSRERVARPLPAEEPERAKSGTRTEKEEERDEKEEKRLRSQTKEPTPKQKLKEEPDREARAGVQADEDEDGDEKDEKKHRSQPKDLAAKRRPEEKEPEKVNPQISDEKDEDEKEEKRRKTTPKEPTEKKMARAKTVMNSKTHPPKCIQCGQYLDDPDLKYGQHPPDAVDEPQMLTNEKLSIFDANESGFESYEALPQHKLTCFSVYCKHGHLCPIDTGLIEKNIELFFSGSAKPIYDDDPSLEGGVNGKNLGPINEWWITGFDGGEKALIGFSTSFAEYILMDPSPEYAPIFGLMQEKIYISKIVVEFLQSNSDSTYEDLINKIETTVPPSGLNLNRFTEDSLLRHAQFVVEQVESYDEAGDSDEQPIFLTPCMRDLIKLAGVTLGQRRAQARRQTIRHSTREKDRGPTKATTTKLVYQIFDTFFAEQIEKDDREDKENAFKRRRCGVCEVCQQPECGKCKACKDMVKFGGSGRSKQACQERRCPNMAMKEADDDEEVDDNIPEMPSPKKMHQGKKKKQNKNRISWVGEAVKTDGKKSYYKKVCIDAETLEVGDCVSVIPDDSSKPLYLARVTALWEDSSNGQMFHAHWFCAGTDTVLGATSDPLELFLVDECEDMQLSYIHSKVKVIYKAPSENWAMEGGMDPESLLEGDDGKTYFYQLWYDQDYARFESPPKTQPTEDNKFKFCVSCARLAEMRQKEIPRVLEQLEDLDSRVLYYSATKNGILYRVGDGVYLPPEAFTFNIKLSSPVKRPRKEPVDEDLYPEHYRKYSDYIKGSNLDAPEPYRIGRIKEIFCPKKSNGRPNETDIKIRVNKFYRPENTHKSTPASYHADINLLYWSDEEAVVDFKAVQGRCTVEYGEDLPECVQVYSMGGPNRFYFLEAYNAKSKSFEDPPNHARSPGNKGKGKGKGKGKPKSQACEPSEPEIEIKLPKLRTLDVFSGCGGLSEGFHQAGISDTLWAIEMWDPAAQAFRLNNPGSTVFTEDCNILLKLVMAGETTNSRGQRLPQKGDVEMLCGGPPCQGFSGMNRFNSRTYSKFKNSLVVSFLSYCDYYRPRFFLLENVRNFVSFKRSMVLKLTLRCLVRMGYQCTFGVLQAGQYGVAQTRRRAIILAAAPGEKLPLFPEPLHVFAPRACQLSVVVDDKKFVSNITRLSSGPFRTITVRDTMSDLPEVRNGASALEISYNGEPQSWFQRQLRGAQYQPILRDHICKDMSALVAARMRHIPLAPGSDWRDLPNIEVRLSDGTMARKLRYTHHDRKNGRSSSGALRGVCSCVEAGKACDPAARQFNTLIPWCLPHTGNRHNHWAGLYGRLEWDGFFSTTVTNPEPMGKQGRVLHPEQHRVVSVRECARSQGFPDTYRLFGNILDKHRQVGNAVPPPLAKAIGLEIKLCMLAKARESASAKIKEEEAAKD
  
Inhibitor
Name:
BDBM89189
Synonyms:
cid_9593324 | SMR000171643 | 4-hydroxy-N-[(E)-[4-[2-(4-nitroanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide | N-[(E)-[4-[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethoxy]phenyl]methylideneamino]-4-oxidanyl-benzamide | 2-{4-[(4-Hydroxy-benzoyl)-hydrazonomethyl]-phenoxy}-N-(4-nitro-phenyl)-acetamide | MLS000548295 | 4-hydroxy-N-[(E)-[4-[2-keto-2-(4-nitroanilino)ethoxy]benzylidene]amino]benzamide
Type:
Small organic molecule
Emp. Form.:
C22H18N4O6
Mol. Mass.:
434.12
SMILES:
Oc1ccc(cc1)C(=O)N\N=C\c1ccc(OCC(=O)Nc2ccc(cc2)[N+]([O-])=O)cc1
Structure:
Search PDB for entries with ligand similarity: