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Target
DNA (cytosine-5)-methyltransferase 3A
Ligand
BDBM65975
Substrate
n/a
Meas. Tech.
SAR Selectivity Analysis of small molecule inhibitors of PEST using pCAP in a fluorescence assay
IC50
2810±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:
BDBM65975
Synonyms:
3-[[4-[(E)-[3-(3-carboxyphenyl)-4-keto-2-thioxo-thiazolidin-5-ylidene]methyl]-2-chloro-6-methoxy-phenoxy]methyl]benzoic acid | 3-[[4-[(E)-[3-(3-carboxyphenyl)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-2-chloranyl-6-methoxy-phenoxy]methyl]benzoic acid | 3-[[4-[(E)-[3-(3-carboxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-2-chloro-6-methoxyphenoxy]methyl]benzoic acid | 3-[[4-[(E)-[3-(3-carboxyphenyl)-4-oxo-2-sulfanylidene-5-thiazolidinylidene]methyl]-2-chloro-6-methoxyphenoxy]methyl]benzoic acid | MLS-0435626.0001 | cid_16466042
Type:
Small organic molecule
Emp. Form.:
C26H18ClNO7S2
Mol. Mass.:
556.007
SMILES:
COc1cc(\C=C2\SC(=S)N(C2=O)c2cccc(c2)C(O)=O)cc(Cl)c1OCc1cccc(c1)C(O)=O
Structure:
Search PDB for entries with ligand similarity: