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Target
DNA (cytosine-5)-methyltransferase 3-like/3A
Ligand
BDBM50448488
Substrate
n/a
Meas. Tech.
ChEMBL_1294383 (CHEMBL3129168)
IC50
18000±n/a nM
Citation
 Valente, S; Liu, Y; Schnekenburger, M; Zwergel, C; Cosconati, S; Gros, C; Tardugno, M; Labella, D; Florean, C; Minden, S; Hashimoto, H; Chang, Y; Zhang, X; Kirsch, G; Novellino, E; Arimondo, PB; Miele, E; Ferretti, E; Gulino, A; Diederich, M; Cheng, X; Mai, A Selective non-nucleoside inhibitors of human DNA methyltransferases active in cancer including in cancer stem cells. J Med Chem 57:701-13 (2014) [PubMed]  Article 
Target
Name:
DNA (cytosine-5)-methyltransferase 3-like/3A
Synonyms:
DNMT3A2/3L complex
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of ChEMBL is 1294383
Components:
This complex has 2 components.
Component 1
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
  
Component 2
Name:
DNA (cytosine-5)-methyltransferase 3-like
Synonyms:
DNM3L_HUMAN | DNMT3L
Type:
PROTEIN
Mol. Mass.:
43578.37
Organism:
Homo sapiens (Human)
Description:
ChEMBL_108147
Residue:
386
Sequence:
MAAIPALDPEAEPSMDVILVGSSELSSSVSPGTGRDLIAYEVKANQRNIEDICICCGSLQVHTQHPLFEGGICAPCKDKFLDALFLYDDDGYQSYCSICCSGETLLICGNPDCTRCYCFECVDSLVGPGTSGKVHAMSNWVCYLCLPSSRSGLLQRRRKWRSQLKAFYDRESENPLEMFETVPVWRRQPVRVLSLFEDIKKELTSLGFLESGSDPGQLKHVVDVTDTVRKDVEEWGPFDLVYGATPPLGHTCDRPPSWYLFQFHRLLQYARPKPGSPRPFFWMFVDNLVLNKEDLDVASRFLEMEPVTIPDVHGGSLQNAVRVWSNIPAIRSRHWALVSEEELSLLAQNKQSSKLAAKWPTKLVKNCFLPLREYFKYFSTELTSSL
  
Inhibitor
Name:
BDBM50448488
Synonyms:
CHEMBL3126652
Type:
Small organic molecule
Emp. Form.:
C23H23N9O
Mol. Mass.:
441.4884
SMILES:
Cc1cc(Nc2ccc(NC(=O)c3ccc(Nc4cc(C)nc(N)n4)cc3)cc2)nc(N)n1
Structure:
Search PDB for entries with ligand similarity: