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Target
DNA (cytosine-5)-methyltransferase 3A
Ligand
BDBM50206866
Substrate
n/a
Meas. Tech.
ChEMBL_1629346 (CHEMBL3871972)
IC50
64000±n/a nM
Citation
 Shao, Z; Xu, P; Xu, W; Li, L; Liu, S; Zhang, R; Liu, YC; Zhang, C; Chen, S; Luo, C Discovery of novel DNA methyltransferase 3A inhibitors via structure-based virtual screening and biological assays. Bioorg Med Chem Lett 27:342-346 (2017) [PubMed]  Article 
Target
Name:
DNA (cytosine-5)-methyltransferase 3A
Synonyms:
DNA (cytosine-5)-methyltransferase 3A | DNA MTase HsaIIIA | DNA methyltransferase HsaIIIA | DNM3A_HUMAN | DNMT3A | DNMT3A2/3L complex | M.HsaIIIA | tyrosine-protein phosphatase non-receptor type 12 isoform 2
Type:
PROTEIN
Mol. Mass.:
101857.24
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1510405
Residue:
912
Sequence:
MPAMPSSGPGDTSSSAAEREEDRKDGEEQEEPRGKEERQEPSTTARKVGRPGRKRKHPPVESGDTPKDPAVISKSPSMAQDSGASELLPNGDLEKRSEPQPEEGSPAGGQKGGAPAEGEGAAETLPEASRAVENGCCTPKEGRGAPAEAGKEQKETNIESMKMEGSRGRLRGGLGWESSLRQRPMPRLTFQAGDPYYISKRKRDEWLARWKREAEKKAKVIAGMNAVEENQGPGESQKVEEASPPAVQQPTDPASPTVATTPEPVGSDAGDKNATKAGDDEPEYEDGRGFGIGELVWGKLRGFSWWPGRIVSWWMTGRSRAAEGTRWVMWFGDGKFSVVCVEKLMPLSSFCSAFHQATYNKQPMYRKAIYEVLQVASSRAGKLFPVCHDSDESDTAKAVEVQNKPMIEWALGGFQPSGPKGLEPPEEEKNPYKEVYTDMWVEPEAAAYAPPPPAKKPRKSTAEKPKVKEIIDERTRERLVYEVRQKCRNIEDICISCGSLNVTLEHPLFVGGMCQNCKNCFLECAYQYDDDGYQSYCTICCGGREVLMCGNNNCCRCFCVECVDLLVGPGAAQAAIKEDPWNCYMCGHKGTYGLLRRREDWPSRLQMFFANNHDQEFDPPKVYPPVPAEKRKPIRVLSLFDGIATGLLVLKDLGIQVDRYIASEVCEDSITVGMVRHQGKIMYVGDVRSVTQKHIQEWGPFDLVIGGSPCNDLSIVNPARKGLYEGTGRLFFEFYRLLHDARPKEGDDRPFFWLFENVVAMGVSDKRDISRFLESNPVMIDAKEVSAAHRARYFWGNLPGMNRPLASTVNDKLELQECLEHGRIAKFSKVRTITTRSNSIKQGKDQHFPVFMNEKEDILWCTEMERVFGFPVHYTDVSNMSRLARQRLLGRSWSVPVIRHLFAPLKEYFACV
  
Inhibitor
Name:
BDBM50206866
Synonyms:
CHEMBL3922548
Type:
Small organic molecule
Emp. Form.:
C21H14N2O6
Mol. Mass.:
390.3457
SMILES:
OC(=O)c1ccc(NC(=O)c2ccc3C(=O)N(Cc4ccco4)C(=O)c3c2)cc1
Structure:
Search PDB for entries with ligand similarity: