| Reaction Details |
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 | Report a problem with these data |
| Target | DNA (cytosine-5)-methyltransferase 3A |
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| Ligand | BDBM46272 |
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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 | 7600±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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| BDBM46272 |
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| n/a |
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| Name | BDBM46272 |
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| Synonyms: | 2-[2-ethoxy-6-iodanyl-4-[(E)-(4-oxidanylidene-2-phenylazanyl-1,3-thiazol-5-ylidene)methyl]phenoxy]ethanoic acid | 2-[4-[(E)-(2-anilino-4-keto-2-thiazolin-5-ylidene)methyl]-2-ethoxy-6-iodo-phenoxy]acetic acid | 2-[4-[(E)-(2-anilino-4-oxo-1,3-thiazol-5-ylidene)methyl]-2-ethoxy-6-iodophenoxy]acetic acid | 2-[4-[(E)-(2-anilino-4-oxo-5-thiazolylidene)methyl]-2-ethoxy-6-iodophenoxy]acetic acid | MLS-0425587.0001 | cid_1756795 |
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| Type | Small organic molecule |
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| Emp. Form. | C20H17IN2O5S |
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| Mol. Mass. | 524.329 |
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| SMILES | CCOc1cc(C=C2SC(Nc3ccccc3)=NC2=O)cc(I)c1OCC(O)=O |w:6.5,c:17| |
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| Structure | 
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