Reaction Details Report a problem with these data
Target
DNA (cytosine-5)-methyltransferase 1 [601-1600]
Ligand
BDBM491448
Substrate
n/a
Meas. Tech.
Scintillation Proximity Assay (SPA) Assay B (Human Truncated DNMT1(601-1600))
IC50
79.0±n/a nM
Citation
 Benowitz, AB; Fosbenner, DT; King, BW; Romeril, SP Substituted pyridines as DNMT1 inhibitors US Patent  US11771711 Publication Date 10/3/2023 
Target
Name:
DNA (cytosine-5)-methyltransferase 1 [601-1600]
Synonyms:
DNA (cytosine-5)-methyltransferase 1 (DNMT1)(601-1600)
Type:
Protein
Mol. Mass.:
113258.50
Organism:
Homo sapiens (Human)
Description:
aa 601-1600
Residue:
1000
Sequence:
RQTIRHSTREKDRGPTKATTTKLVYQIFDTFFAEQIEKDDREDKENAFKRRRCGVCEVCQQPECGKCKACKDMVKFGGSGRSKQACQERRCPNMAMKEADDDEEVDDNIPEMPSPKKMHQGKKKKQNKNRISWVGEAVKTDGKKSYYKKVCIDAETLEVGDCVSVIPDDSSKPLYLARVTALWEDSSNGQMFHAHWFCAGTDTVLGATSDPLELFLVDECEDMQLSYIHSKVKVIYKAPSENWAMEGGMDPESLLEGDDGKTYFYQLWYDQDYARFESPPKTQPTEDNKFKFCVSCARLAEMRQKEIPRVLEQLEDLDSRVLYYSATKNGILYRVGDGVYLPPEAFTFNIKLSSPVKRPRKEPVDEDLYPEHYRKYSDYIKGSNLDAPEPYRIGRIKEIFCPKKSNGRPNETDIKIRVNKFYRPENTHKSTPASYHADINLLYWSDEEAVVDFKAVQGRCTVEYGEDLPECVQVYSMGGPNRFYFLEAYNAKSKSFEDPPNHARSPGNKGKGKGKGKGKPKSQACEPSEPEIEIKLPKLRTLDVFSGCGGLSEGFHQAGISDTLWAIEMWDPAAQAFRLNNPGSTVFTEDCNILLKLVMAGETTNSRGQRLPQKGDVEMLCGGPPCQGFSGMNRFNSRTYSKFKNSLVVSFLSYCDYYRPRFFLLENVRNFVSFKRSMVLKLTLRCLVRMGYQCTFGVLQAGQYGVAQTRRRAIILAAAPGEKLPLFPEPLHVFAPRACQLSVVVDDKKFVSNITRLSSGPFRTITVRDTMSDLPEVRNGASALEISYNGEPQSWFQRQLRGAQYQPILRDHICKDMSALVAARMRHIPLAPGSDWRDLPNIEVRLSDGTMARKLRYTHHDRKNGRSSSGALRGVCSCVEAGKACDPAARQFNTLIPWCLPHTGNRHNHWAGLYGRLEWDGFFSTTVTNPEPMGKQGRVLHPEQHRVVSVRECARSQGFPDTYRLFGNILDKHRQVGNAVPPPLAKAIGLEIKLCMLAKA
  
Inhibitor
Name:
BDBM491448
Synonyms:
US10975056, Example 422 | US11771711, Reference compound 4
Type:
Small organic molecule
Emp. Form.:
C22H23N5O3S
Mol. Mass.:
437.515
SMILES:
CCc1c(C#N)c(S[C@@H](C(N)=O)c2ccc(OC)cc2)nc(N2CC[C@H](O)C2)c1C#N |r|
Structure:
Search PDB for entries with ligand similarity: