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Q9UBC3 | DNM3B_HUMAN | DNA (cytosine-5)-methyltransferase 3B (DNMT3B)

3D structures mapped by conservation among orthologs



[ Alpha Fold Model ] (go)


Known binders annotated in ChEMBL

IC50 table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL555257 OBDepict OH O H N H H S H O H HO H N H OH N N N N H IC50 = 260.0 nM 576.68 O=C(O)[C@@H]1C[C@H](SC[C@H]2O[C@@H](n3cnc4c(NCCc5ccc(-c6ccccc6)cc5)ncnc43)[C@H](O)[C@@H]2O)CN1 Homo sapiens CHEMBL1036445 single protein format
CHEMBL418052 OBDepict NH 2 N N N N H O H OH H H HO S NH 2 H O HO IC50 = 300.0 nM 384.42 Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O Homo sapiens CHEMBL1036409 cell-based format
CHEMBL552309 OBDepict NH 2 N N N H O H OH H H HO S NH 2 H O HO IC50 = 300.0 nM 383.43 Nc1ncnc2c1ccn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O Homo sapiens CHEMBL1036409 cell-based format
CHEMBL557902 OBDepict NH 2 N N N N H O H OH H H HO S H HN H O HO IC50 = 300.0 nM 396.43 Nc1ncnc2c1ncn2[C@@H]1O[C@H](CS[C@@H]2CN[C@H](C(=O)O)C2)[C@@H](O)[C@H]1O Homo sapiens CHEMBL1036445 single protein format
CHEMBL2106789 OBDepict HO O H O H CH 3 O O OH IC50 = 500.0 nM 302.28 C[C@@H]1O[C@@H](CC(=O)O)CC2=C1C(=O)c1c(O)cccc1C2=O Homo sapiens CHEMBL3418014 cell-based format
CHEMBL560105 OBDepict H 2 N O OH S H O H HO H N H OH N N N N H IC50 = 600.0 nM 502.6 NC(CCSC[C@H]1O[C@@H](n2cnc3c(NCCCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O)C(=O)O Homo sapiens CHEMBL1036409 cell-based format
CHEMBL555352 OBDepict NH 2 O HO S H O H OH H N H HO N N N N H IC50 = 600.0 nM 564.67 NC(CCSC[C@H]1O[C@@H](n2cnc3c(NCCc4ccc(-c5ccccc5)cc4)ncnc32)[C@H](O)[C@@H]1O)C(=O)O Homo sapiens CHEMBL1036409 cell-based format
CHEMBL560505 OBDepict CH 3 O O N H CH 3 N N N N H O H OH H H HO S H 2 N O HO IC50 = 900.0 nM 534.6 COc1cc(CNc2ncnc3c2ncn3[C@@H]2O[C@H](CSCCC(N)C(=O)O)[C@@H](O)[C@H]2O)cc(OC)c1 Homo sapiens CHEMBL1036409 cell-based format
CHEMBL1564869 OBDepict HO O N H O O N H IC50 = 900.0 nM 334.33 O=C(O)[C@H](Cc1c[nH]c2ccccc12)N1C(=O)c2ccccc2C1=O Homo sapiens CHEMBL4606697 cell-based format
CHEMBL556265 OBDepict H 2 N O OH S H O H HO H N H OH N N N N H IC50 = 1000.0 nM 474.54 NC(CCSC[C@H]1O[C@@H](n2cnc3c(NCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O)C(=O)O Homo sapiens CHEMBL1036409 cell-based format
CHEMBL560045 OBDepict CH 3 N N NH 2 N N H O H OH H H HO S H 2 N O HO IC50 = 1000.0 nM 398.45 Cc1nc(N)c2ncn([C@@H]3O[C@H](CSCCC(N)C(=O)O)[C@@H](O)[C@H]3O)c2n1 Homo sapiens CHEMBL1036409 cell-based format