| Reaction Details |
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 | Report a problem with these data |
| Target | DNA (cytosine-5)-methyltransferase 3A |
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| Ligand | BDBM46213 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | SAR Selectivity Analysis of small molecule inhibitors of PEST using pCAP in a fluorescence assay |
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| IC50 | 2520±n/a nM |
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| Citation |  PubChem, PC SAR Selectivity Analysis of small molecule inhibitors of PEST using pCAP in a fluorescence assay PubChem Bioassay(2010)[AID] |
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| More Info.: | Get all data from this article, Solution Info, Assay Method |
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| DNA (cytosine-5)-methyltransferase 3A |
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| Name: | DNA (cytosine-5)-methyltransferase 3A |
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| 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 |
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| Type: | PROTEIN |
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| Mol. Mass.: | 101857.24 |
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| Organism: | Homo sapiens (Human) |
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| Description: | ChEMBL_1510405 |
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| Residue: | 912 |
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| Sequence: | MPAMPSSGPGDTSSSAAEREEDRKDGEEQEEPRGKEERQEPSTTARKVGRPGRKRKHPPV
ESGDTPKDPAVISKSPSMAQDSGASELLPNGDLEKRSEPQPEEGSPAGGQKGGAPAEGEG
AAETLPEASRAVENGCCTPKEGRGAPAEAGKEQKETNIESMKMEGSRGRLRGGLGWESSL
RQRPMPRLTFQAGDPYYISKRKRDEWLARWKREAEKKAKVIAGMNAVEENQGPGESQKVE
EASPPAVQQPTDPASPTVATTPEPVGSDAGDKNATKAGDDEPEYEDGRGFGIGELVWGKL
RGFSWWPGRIVSWWMTGRSRAAEGTRWVMWFGDGKFSVVCVEKLMPLSSFCSAFHQATYN
KQPMYRKAIYEVLQVASSRAGKLFPVCHDSDESDTAKAVEVQNKPMIEWALGGFQPSGPK
GLEPPEEEKNPYKEVYTDMWVEPEAAAYAPPPPAKKPRKSTAEKPKVKEIIDERTRERLV
YEVRQKCRNIEDICISCGSLNVTLEHPLFVGGMCQNCKNCFLECAYQYDDDGYQSYCTIC
CGGREVLMCGNNNCCRCFCVECVDLLVGPGAAQAAIKEDPWNCYMCGHKGTYGLLRRRED
WPSRLQMFFANNHDQEFDPPKVYPPVPAEKRKPIRVLSLFDGIATGLLVLKDLGIQVDRY
IASEVCEDSITVGMVRHQGKIMYVGDVRSVTQKHIQEWGPFDLVIGGSPCNDLSIVNPAR
KGLYEGTGRLFFEFYRLLHDARPKEGDDRPFFWLFENVVAMGVSDKRDISRFLESNPVMI
DAKEVSAAHRARYFWGNLPGMNRPLASTVNDKLELQECLEHGRIAKFSKVRTITTRSNSI
KQGKDQHFPVFMNEKEDILWCTEMERVFGFPVHYTDVSNMSRLARQRLLGRSWSVPVIRH
LFAPLKEYFACV
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| BDBM46213 |
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| n/a |
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| Name | BDBM46213 |
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| Synonyms: | 2-[4-[[6-carbethoxy-3-keto-7-methyl-5-[4-(methylthio)phenyl]-5H-thiazolo[3,2-a]pyrimidin-2-ylidene]methyl]phenoxy]acetic acid | 2-[4-[[6-ethoxycarbonyl-7-methyl-5-(4-methylsulfanylphenyl)-3-oxidanylidene-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl]phenoxy]ethanoic acid | 2-[4-[[6-ethoxycarbonyl-7-methyl-5-(4-methylsulfanylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl]phenoxy]acetic acid | 2-[4-[[6-ethoxycarbonyl-7-methyl-5-[4-(methylthio)phenyl]-3-oxo-5H-thiazolo[3,2-a]pyrimidin-2-ylidene]methyl]phenoxy]acetic acid | ML120 | MLS-0350978.0001 | cid_4302116 |
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| Type | Small organic molecule |
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| Emp. Form. | C26H24N2O6S2 |
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| Mol. Mass. | 524.609 |
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| SMILES | CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OCC(O)=O)cc3)c(=O)n2C1c1ccc(SC)cc1 |c:5,t:8| |
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| Structure | 
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