| Reaction Details |
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 | Report a problem with these data |
| Target | DNA (cytosine-5)-methyltransferase 3A |
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| Ligand | BDBM48813 |
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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 | 3130±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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| BDBM48813 |
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| n/a |
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| Name | BDBM48813 |
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| Synonyms: | 2-chloranyl-5-[5-[(Z)-[3-[(4-methoxyphenyl)methyl]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoic acid | 2-chloro-5-(5-{[3-(4-methoxybenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-furyl)benzoic acid | 2-chloro-5-[5-[(Z)-(4-keto-3-p-anisyl-2-thioxo-thiazolidin-5-ylidene)methyl]-2-furyl]benzoic acid | 2-chloro-5-[5-[(Z)-[3-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoic acid | 2-chloro-5-[5-[(Z)-[3-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-5-thiazolidinylidene]methyl]-2-furanyl]benzoic acid | MLS000690016 | SMR000298745 | cid_2285453 |
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| Type | Small organic molecule |
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| Emp. Form. | C23H16ClNO5S2 |
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| Mol. Mass. | 485.96 |
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| SMILES | COc1ccc(CN2C(=S)S\C(=C/c3ccc(o3)-c3ccc(Cl)c(c3)C(O)=O)C2=O)cc1 |
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| Structure | 
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