Target
DNA (cytosine-5)-methyltransferase 3B
Ligand
BDBM50294495
Substrate
n/a
Meas. Tech.
ChEMBL_575566 (CHEMBL1036409)
IC50
600±n/a nM
Citation
 Saavedra, OMIsakovic, LLlewellyn, DBZhan, LBernstein, NClaridge, SRaeppel, FVaisburg, AElowe, NPetschner, AJRahil, JBeaulieu, NMacLeod, ARDelorme, DBesterman, JMWahhab, A SAR around (l)-S-adenosyl-l-homocysteine, an inhibitor of human DNA methyltransferase (DNMT) enzymes. Bioorg Med Chem Lett 19:2747-51 (2009) [PubMed]  Article 
Target
Name:
DNA (cytosine-5)-methyltransferase 3B
Synonyms:
DNM3B_HUMAN | DNMT3B
Type:
PROTEIN
Mol. Mass.:
95771.12
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1473708
Residue:
853
Sequence:
MKGDTRHLNGEEDAGGREDSILVNGACSDQSSDSPPILEAIRTPEIRGRRSSSRLSKREVSSLLSYTQDLTGDGDGEDGDGSDTPVMPKLFRETRTRSESPAVRTRNNNSVSSRERHRPSPRSTRGRQGRNHVDESPVEFPATRSLRRRATASAGTPWPSPPSSYLTIDLTDDTEDTHGTPQSSSTPYARLAQDSQQGGMESPQVEADSGDGDSSEYQDGKEFGIGDLVWGKIKGFSWWPAMVVSWKATSKRQAMSGMRWVQWFGDGKFSEVSADKLVALGLFSQHFNLATFNKLVSYRKAMYHALEKARVRAGKTFPSSPGDSLEDQLKPMLEWAHGGFKPTGIEGLKPNNTQPVVNKSKVRRAGSRKLESRKYENKTRRRTADDSATSDYCPAPKRLKTNCYNNGKDRGDEDQSREQMASDVANNKSSLEDGCLSCGRKNPVSFHPLFEGGLCQTCRDRFLELFYMYDDDGYQSYCTVCCEGRELLLCSNTSCCRCFCVECLEVLVGTGTAAEAKLQEPWSCYMCLPQRCHGVLRRRKDWNVRLQAFFTSDTGLEYEAPKLYPAIPAARRRPIRVLSLFDGIATGYLVLKELGIKVGKYVASEVCEESIAVGTVKHEGNIKYVNDVRNITKKNIEEWGPFDLVIGGSPCNDLSNVNPARKGLYEGTGRLFFEFYHLLNYSRPKEGDDRPFFWMFENVVAMKVGDKRDISRFLECNPVMIDAIKVSAAHRARYFWGNLPGMNRPVIASKNDKLELQDCLEYNRIAKLKKVQTITTKSNSIKQGKNQLFPVVMNGKEDVLWCTELERIFGFPVHYTDVSNMGRGARQKLLGRSWSVPVIRHLFAPLKDYFACE
  
Inhibitor
Name:
BDBM50294495
Synonyms:
(2-amino-4-(((2S,3S,4R,5R)-5-(6-(2-(biphenyl-4-yl)ethylamino)-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methylthio)butanoic acid) | 2-Amino-4-{(2S,3S,4R,5R)-5-[6-(2-biphenyl-4-yl-ethylamino)-purin-9-yl]-3,4-dihydroxy-tetrahydro-furan-2-ylmethylsulfanyl}-butyric acid | CHEMBL555352
Type:
Small organic molecule
Emp. Form.:
C28H32N6O5S
Mol. Mass.:
564.656
SMILES:
NC(CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCc3ccc(cc3)-c3ccccc3)ncnc12)C(O)=O |r|
Structure:
Search PDB for entries with ligand similarity: