| Reaction Details |
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 | Report a problem with these data |
| Target | DNA (cytosine-5)-methyltransferase 3A |
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| Ligand | BDBM65975 |
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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 | 2810±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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| BDBM65975 |
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| n/a |
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| Name | BDBM65975 |
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| 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 |
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| Type | Small organic molecule |
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| Emp. Form. | C26H18ClNO7S2 |
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| Mol. Mass. | 556.007 |
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| SMILES | COc1cc(\C=C2\SC(=S)N(C2=O)c2cccc(c2)C(O)=O)cc(Cl)c1OCc1cccc(c1)C(O)=O |
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| Structure | 
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