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Target
DNA (cytosine-5)-methyltransferase 3-like/3B
Ligand
BDBM11979
Substrate
n/a
Meas. Tech.
ChEMBL_1921408 (CHEMBL4424253)
IC50
45000±n/a nM
Citation
 Leroy, M; Mélin, L; LaPlante, SR; Medina-Franco, JL; Gagnon, A Synthesis of NSC 106084 and NSC 14778 and evaluation of their DNMT inhibitory activity. Bioorg Med Chem Lett 29:826-831 (2019) [PubMed]  Article 
Target
Name:
DNA (cytosine-5)-methyltransferase 3-like/3B
Synonyms:
DNMT3B-DNMT3L complex
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of ChEMBL is 1921408
Components:
This complex has 2 components.
Component 1
Name:
DNA (cytosine-5)-methyltransferase 3B
Synonyms:
DNM3B_HUMAN | DNMT3B
Type:
PROTEIN
Mol. Mass.:
95771.12
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1473708
Residue:
853
Sequence:
MKGDTRHLNGEEDAGGREDSILVNGACSDQSSDSPPILEAIRTPEIRGRRSSSRLSKREVSSLLSYTQDLTGDGDGEDGDGSDTPVMPKLFRETRTRSESPAVRTRNNNSVSSRERHRPSPRSTRGRQGRNHVDESPVEFPATRSLRRRATASAGTPWPSPPSSYLTIDLTDDTEDTHGTPQSSSTPYARLAQDSQQGGMESPQVEADSGDGDSSEYQDGKEFGIGDLVWGKIKGFSWWPAMVVSWKATSKRQAMSGMRWVQWFGDGKFSEVSADKLVALGLFSQHFNLATFNKLVSYRKAMYHALEKARVRAGKTFPSSPGDSLEDQLKPMLEWAHGGFKPTGIEGLKPNNTQPVVNKSKVRRAGSRKLESRKYENKTRRRTADDSATSDYCPAPKRLKTNCYNNGKDRGDEDQSREQMASDVANNKSSLEDGCLSCGRKNPVSFHPLFEGGLCQTCRDRFLELFYMYDDDGYQSYCTVCCEGRELLLCSNTSCCRCFCVECLEVLVGTGTAAEAKLQEPWSCYMCLPQRCHGVLRRRKDWNVRLQAFFTSDTGLEYEAPKLYPAIPAARRRPIRVLSLFDGIATGYLVLKELGIKVGKYVASEVCEESIAVGTVKHEGNIKYVNDVRNITKKNIEEWGPFDLVIGGSPCNDLSNVNPARKGLYEGTGRLFFEFYHLLNYSRPKEGDDRPFFWMFENVVAMKVGDKRDISRFLECNPVMIDAIKVSAAHRARYFWGNLPGMNRPVIASKNDKLELQDCLEYNRIAKLKKVQTITTKSNSIKQGKNQLFPVVMNGKEDVLWCTELERIFGFPVHYTDVSNMGRGARQKLLGRSWSVPVIRHLFAPLKDYFACE
  
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:
BDBM11979
Synonyms:
5-[(3-carboxy-4-hydroxyphenyl)methyl]-2-hydroxybenzoic acid | CHEMBL115145 | MgrA inhibitor, 1 | chemical diversity library compound 4
Type:
Small organic molecule
Emp. Form.:
C15H12O6
Mol. Mass.:
288.2522
SMILES:
OC(=O)c1cc(Cc2ccc(O)c(c2)C(O)=O)ccc1O
Structure:
Search PDB for entries with ligand similarity: