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Target
DNA (cytosine-5)-methyltransferase 3A
Ligand
BDBM61654
Substrate
n/a
Meas. Tech.
SAR Selectivity Analysis of small molecule inhibitors of PEST using pCAP in a fluorescence assay
IC50
58800±n/a nM
Citation
 PubChem, PC SAR Selectivity Analysis of small molecule inhibitors of PEST using pCAP in a fluorescence assay PubChem Bioassay (2010)[AID] 
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:
BDBM61654
Synonyms:
3-[4-[(5Z)-4-keto-2-thioxo-5-veratrylidene-thiazolidin-3-yl]butanoylamino]benzoic acid | 3-[4-[(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]benzoic acid | 3-[4-[(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]benzoic acid | 3-[[4-[(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]-1-oxobutyl]amino]benzoic acid | MLS001083062 | SMR000664889 | cid_5733585
Type:
Small organic molecule
Emp. Form.:
C23H22N2O6S2
Mol. Mass.:
486.561
SMILES:
COc1ccc(\C=C2/SC(=S)N(CCCC(=O)Nc3cccc(c3)C(O)=O)C2=O)cc1OC
Structure:
Search PDB for entries with ligand similarity: