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Target
DNA (cytosine-5)-methyltransferase 3A
Ligand
BDBM65971
Substrate
n/a
Meas. Tech.
SAR Selectivity Analysis of small molecule inhibitors of PEST using pCAP in a fluorescence assay
IC50
714±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:
BDBM65971
Synonyms:
3-[[(E)-3-[4-(4-bromobenzyl)oxyphenyl]-2-cyano-acryloyl]amino]benzoic acid | 3-[[(E)-3-[4-[(4-bromophenyl)methoxy]phenyl]-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid | 3-[[(E)-3-[4-[(4-bromophenyl)methoxy]phenyl]-2-cyano-prop-2-enoyl]amino]benzoic acid | 3-[[(E)-3-[4-[(4-bromophenyl)methoxy]phenyl]-2-cyanoprop-2-enoyl]amino]benzoic acid | MLS-0336006.0001 | cid_2372242
Type:
Small organic molecule
Emp. Form.:
C24H17BrN2O4
Mol. Mass.:
477.307
SMILES:
OC(=O)c1cccc(NC(=O)C(=C\c2ccc(OCc3ccc(Br)cc3)cc2)\C#N)c1
Structure:
Search PDB for entries with ligand similarity: