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Target
DNA (cytosine-5)-methyltransferase 1
Ligand
BDBM40732
Substrate
n/a
Meas. Tech.
Dose response confirmation of DNMT1 inhibitors in a Fluorescent Molecular Beacon assay
IC50
3940±245 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:
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:
MPARTAPARVPTLAVPAISLPDDVRRRLKDLERDSLTEKECVKEKLNLLHEFLQTEIKNQLCDLETKLRKEELSEEGYLAKVKSLLNKDLSLENGAHAYNREVNGRLENGNQARSEARRVGMADANSPPKPLSKPRTPRRSKSDGEAKPEPSPSPRITRKSTRQTTITSHFAKGPAKRKPQEESERAKSDESIKEEDKDQDEKRRRVTSRERVARPLPAEEPERAKSGTRTEKEEERDEKEEKRLRSQTKEPTPKQKLKEEPDREARAGVQADEDEDGDEKDEKKHRSQPKDLAAKRRPEEKEPEKVNPQISDEKDEDEKEEKRRKTTPKEPTEKKMARAKTVMNSKTHPPKCIQCGQYLDDPDLKYGQHPPDAVDEPQMLTNEKLSIFDANESGFESYEALPQHKLTCFSVYCKHGHLCPIDTGLIEKNIELFFSGSAKPIYDDDPSLEGGVNGKNLGPINEWWITGFDGGEKALIGFSTSFAEYILMDPSPEYAPIFGLMQEKIYISKIVVEFLQSNSDSTYEDLINKIETTVPPSGLNLNRFTEDSLLRHAQFVVEQVESYDEAGDSDEQPIFLTPCMRDLIKLAGVTLGQRRAQARRQTIRHSTREKDRGPTKATTTKLVYQIFDTFFAEQIEKDDREDKENAFKRRRCGVCEVCQQPECGKCKACKDMVKFGGSGRSKQACQERRCPNMAMKEADDDEEVDDNIPEMPSPKKMHQGKKKKQNKNRISWVGEAVKTDGKKSYYKKVCIDAETLEVGDCVSVIPDDSSKPLYLARVTALWEDSSNGQMFHAHWFCAGTDTVLGATSDPLELFLVDECEDMQLSYIHSKVKVIYKAPSENWAMEGGMDPESLLEGDDGKTYFYQLWYDQDYARFESPPKTQPTEDNKFKFCVSCARLAEMRQKEIPRVLEQLEDLDSRVLYYSATKNGILYRVGDGVYLPPEAFTFNIKLSSPVKRPRKEPVDEDLYPEHYRKYSDYIKGSNLDAPEPYRIGRIKEIFCPKKSNGRPNETDIKIRVNKFYRPENTHKSTPASYHADINLLYWSDEEAVVDFKAVQGRCTVEYGEDLPECVQVYSMGGPNRFYFLEAYNAKSKSFEDPPNHARSPGNKGKGKGKGKGKPKSQACEPSEPEIEIKLPKLRTLDVFSGCGGLSEGFHQAGISDTLWAIEMWDPAAQAFRLNNPGSTVFTEDCNILLKLVMAGETTNSRGQRLPQKGDVEMLCGGPPCQGFSGMNRFNSRTYSKFKNSLVVSFLSYCDYYRPRFFLLENVRNFVSFKRSMVLKLTLRCLVRMGYQCTFGVLQAGQYGVAQTRRRAIILAAAPGEKLPLFPEPLHVFAPRACQLSVVVDDKKFVSNITRLSSGPFRTITVRDTMSDLPEVRNGASALEISYNGEPQSWFQRQLRGAQYQPILRDHICKDMSALVAARMRHIPLAPGSDWRDLPNIEVRLSDGTMARKLRYTHHDRKNGRSSSGALRGVCSCVEAGKACDPAARQFNTLIPWCLPHTGNRHNHWAGLYGRLEWDGFFSTTVTNPEPMGKQGRVLHPEQHRVVSVRECARSQGFPDTYRLFGNILDKHRQVGNAVPPPLAKAIGLEIKLCMLAKARESASAKIKEEEAAKD
  
Inhibitor
Name:
BDBM40732
Synonyms:
(3E)-3-[(5E)-5-[[(N''E)-N''-[amino(nitramido)methylene]hydrazino]methylene]-2-furylidene]-6-keto-cyclohexa-1,4-diene-1-carboxylic acid | (3E)-3-[(5E)-5-[[(N'E)-N'-[amino(nitramido)methylene]hydrazino]methylene]-2-furylidene]-6-keto-cyclohexa-1,4-diene-1-carboxylic acid | (3Z)-3-[(5Z)-5-[[2-[amino(nitramido)methylidene]hydrazinyl]methylidene]-2-furanylidene]-6-oxo-1-cyclohexa-1,4-dienecarboxylic acid | (3Z)-3-[(5Z)-5-[[2-[amino(nitramido)methylidene]hydrazinyl]methylidene]furan-2-ylidene]-6-oxocyclohexa-1,4-diene-1-carboxylic acid | (3Z)-3-[(5Z)-5-[[2-[azanyl(nitramido)methylidene]hydrazinyl]methylidene]furan-2-ylidene]-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylic acid | (3Z)-3-[(5Z)-5-[[N'-[amino(nitramido)methylene]hydrazino]methylene]-2-furylidene]-6-keto-cyclohexa-1,4-diene-1-carboxylic acid | 5-(5-{2-[amino(nitroimino)methyl]carbonohydrazonoyl}-2-furyl)-2-hydroxybenzoic acid | MLS000575572 | SMR000185710 | cid_11958908 | cid_5333267
Type:
Small organic molecule
Emp. Form.:
C13H11N5O6
Mol. Mass.:
333.2563
SMILES:
NC(N[N+]([O-])=O)=NNC=c1ccc(o1)=C1C=CC(=O)C(=C1)C(O)=O |w:6.6,8.7,14.21,c:16,20|
Structure:
Search PDB for entries with ligand similarity: