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Target
DNA (cytosine-5)-methyltransferase 3A
Ligand
BDBM46269
Substrate
n/a
Meas. Tech.
SAR Selectivity Analysis of small molecule inhibitors of PEST using pCAP in a fluorescence assay
IC50
7860±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:
BDBM46269
Synonyms:
2-[4-[(E)-[2-(3-bromoanilino)-4-keto-2-thiazolin-5-ylidene]methyl]-2-methoxy-phenoxy]acetic acid | 2-[4-[(E)-[2-(3-bromoanilino)-4-oxo-1,3-thiazol-5-ylidene]methyl]-2-methoxyphenoxy]acetic acid | 2-[4-[(E)-[2-(3-bromoanilino)-4-oxo-5-thiazolylidene]methyl]-2-methoxyphenoxy]acetic acid | 2-[4-[(E)-[2-[(3-bromophenyl)amino]-4-oxidanylidene-1,3-thiazol-5-ylidene]methyl]-2-methoxy-phenoxy]ethanoic acid | MLS-0425581.0001 | cid_1228895
Type:
Small organic molecule
Emp. Form.:
C19H15BrN2O5S
Mol. Mass.:
463.302
SMILES:
COc1cc(C=C2SC(Nc3cccc(Br)c3)=NC2=O)ccc1OCC(O)=O |w:5.4,c:17|
Structure:
Search PDB for entries with ligand similarity: