HOME LIGAND hPROTEOME OTHERS DOCUMENT

P16455 | MGMT_HUMAN | Methylated-DNA--protein-cysteine methyltransferase (MGMT)

3D structures mapped by conservation among orthologs

[ Domain: "Methylated DNA-protein cysteine methyltransferase-C" // DNA_binding_1 ]

download pymol session

[ Domain: "Methylated DNA-protein cysteine methyltransferase domain" // Methyltransf_1N ]

download pymol session



[ Alpha Fold Model ] (go)


Known binders annotated in ChEMBL

IC50 table Ki table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL337677 OBDepict NH 2 N N O N N S H IC50 = 3.0 nM 233.26 Nc1nc(Oc2cccs2)c2[nH]cnc2n1 Homo sapiens CHEMBL645820 cell-based format
CHEMBL146769 OBDepict NH 2 N N H O N N H S Br IC50 = 5.0 nM 328.19 NC1=NC(OCc2ccc(Br)s2)c2[nH]cnc2N1 Homo sapiens CHEMBL751006 single protein format
CHEMBL485756 OBDepict NH 2 O N N H 2 N N H N IC50 = 9.0 nM 270.3 NCc1cccc(COc2nc(N)nc3nc[nH]c23)c1 Homo sapiens CHEMBL2176221 cell-based format
CHEMBL339133 OBDepict Br S O N N H 2 N N H N IC50 = 9.0 nM 326.18 Nc1nc(OCc2cc(Br)cs2)c2[nH]cnc2n1 Homo sapiens CHEMBL712287 cell-based format
CHEMBL151579 OBDepict NH 2 N N H O N N H S IC50 = 18.0 nM 249.3 NC1=NC(OCc2cccs2)c2[nH]cnc2N1 Homo sapiens CHEMBL751006 single protein format
CHEMBL4454794 OBDepict _ N + N N O O O N N N Cl Ki = 24.0 nM 318.76 [N-]=[N+]=NCCOCCOCCOCCn1nncc1CCl Homo sapiens CHEMBL4351038 single protein format
CHEMBL2171205 OBDepict H 3 C N CH 3 O N N NH 2 N N H IC50 = 25.0 nM 298.35 CN(C)Cc1cccc(COc2nc(N)nc3[nH]cnc23)c1 Homo sapiens CHEMBL2176221 cell-based format
CHEMBL345550 OBDepict NH 2 N N H O N N H S N IC50 = 33.0 nM 250.29 NC1=NC(OCc2cncs2)c2[nH]cnc2N1 Homo sapiens CHEMBL751006 single protein format
CHEMBL333928 OBDepict NH 2 N N O N N N H IC50 = 38.0 nM 242.24 Nc1nc(OCc2ccccc2)c2[nH]nnc2n1 Homo sapiens CHEMBL712287 cell-based format
CHEMBL151495 OBDepict NH 2 N HN O N N H N Cl IC50 = 40.0 nM 278.7 NC1=NC(OCc2ccnc(Cl)c2)c2[nH]cnc2N1 Homo sapiens CHEMBL751006 single protein format
CHEMBL149722 OBDepict O N O N H 2 N N NH 2 F IC50 = 51.0 nM 263.23 Nc1nc(N)c(N=O)c(OCc2ccc(F)cc2)n1 Homo sapiens CHEMBL752890 single protein format
CHEMBL150324 OBDepict NH 2 N N H O N N H S N IC50 = 70.0 nM 250.29 NC1=NC(OCc2cnsc2)c2[nH]cnc2N1 Homo sapiens CHEMBL751006 single protein format
CHEMBL146768 OBDepict NH 2 N N H O N N H O IC50 = 80.0 nM 233.23 NC1=NC(OCc2ccco2)c2[nH]cnc2N1 Homo sapiens CHEMBL751006 single protein format
CHEMBL2171202 OBDepict CH 3 NH O O N N H 2 N N N H IC50 = 86.0 nM 312.33 CC(=O)NCc1cccc(COc2nc(N)nc3[nH]cnc23)c1 Homo sapiens CHEMBL2176221 cell-based format
CHEMBL146734 OBDepict NH 2 N HN O N N H N IC50 = 130.0 nM 244.26 NC1=NC(OCc2ccncc2)c2[nH]cnc2N1 Homo sapiens CHEMBL751006 single protein format
CHEMBL71484 OBDepict O N O N H 2 N N NH 2 IC50 = 130.0 nM 245.24 Nc1nc(N)c(N=O)c(OCc2ccccc2)n1 Homo sapiens CHEMBL752890 single protein format
CHEMBL151785 OBDepict NH 2 N NH O N N H N Cl IC50 = 200.0 nM 278.7 NC1=NC(OCc2ccc(Cl)nc2)c2[nH]cnc2N1 Homo sapiens CHEMBL751006 single protein format
CHEMBL150918 OBDepict H 2 N N N H O N N H N O O IC50 = 230.0 nM 288.27 NC1=NC(OCc2cnc3c(c2)OCO3)c2[nH]cnc2N1 Homo sapiens CHEMBL751006 single protein format
CHEMBL358907 OBDepict O N O N H 2 N N NH 2 N IC50 = 230.0 nM 246.23 Nc1nc(N)c(N=O)c(OCc2ccncc2)n1 Homo sapiens CHEMBL752890 single protein format
CHEMBL336215 OBDepict OH O H HO H O H HO HO N N N H 2 N N O S Br IC50 = 250.0 nM 556.4 Nc1nc(OCc2cc(Br)cs2)c2ncn(CC#CCO[C@H]3OC(CO)[C@@H](O)[C@@H](O)C3O)c2n1 Homo sapiens CHEMBL712287 cell-based format
CHEMBL151552 OBDepict Br N O N N NH 2 NH N H IC50 = 250.0 nM 323.15 NC1=NC(OCc2cncc(Br)c2)c2[nH]cnc2N1 Homo sapiens CHEMBL751006 single protein format
CHEMBL1683172 OBDepict Br S O N + N NH 2 N O _ O NH 2 IC50 = 320.0 nM 346.17 Nc1nc(N)c([N+](=O)[O-])c(OCc2cc(Br)cs2)n1 Homo sapiens CHEMBL1687568 single protein format
CHEMBL150427 OBDepict NH 2 N N H O N N H O N IC50 = 350.0 nM 234.22 NC1=NC(OCc2cnco2)c2[nH]cnc2N1 Homo sapiens CHEMBL751006 single protein format
CHEMBL356396 OBDepict F O N + N NH 2 N O _ O NH 2 IC50 = 350.0 nM 279.23 Nc1nc(N)c([N+](=O)[O-])c(OCc2ccc(F)cc2)n1 Homo sapiens CHEMBL752890 single protein format
CHEMBL405259 OBDepict NH 2 N N O N N H IC50 = 390.0 nM 231.26 Nc1nc(OCC2=CCCC2)c2nc[nH]c2n1 Homo sapiens CHEMBL645820 cell-based format
CHEMBL342497 OBDepict NH 2 N NH O N N H N IC50 = 430.0 nM 244.26 NC1=NC(OCc2cccnc2)c2[nH]cnc2N1 Homo sapiens CHEMBL751006 single protein format
CHEMBL339016 OBDepict OH O H HO H O H HO HO N N N H 2 N N O S Br IC50 = 450.0 nM 588.48 Nc1nc(OCc2cc(Br)cs2)c2ncn(CCCCCCO[C@H]3OC(CO)[C@@H](O)[C@@H](O)C3O)c2n1 Homo sapiens CHEMBL712287 cell-based format
CHEMBL134079 OBDepict OH O H HO H O H HO HO N N N NH 2 N O S Br IC50 = 450.0 nM 560.43 Nc1nc(OCc2cc(Br)cs2)c2ncn(CCCCO[C@H]3OC(CO)[C@@H](O)[C@@H](O)C3O)c2n1 Homo sapiens CHEMBL712287 cell-based format
CHEMBL439608 OBDepict H 2 N N N O N N H IC50 = 550.0 nM 217.23 Nc1nc(OCC2=CCC2)c2[nH]cnc2n1 Homo sapiens CHEMBL645820 cell-based format
CHEMBL407874 OBDepict NH 2 N N O N N H IC50 = 620.0 nM 241.25 Nc1nc(OCc2ccccc2)c2nc[nH]c2n1 Homo sapiens CHEMBL712287 cell-based format
CHEMBL131351 OBDepict OH O H HO H O H HO HO N N N NH 2 N O S Br IC50 = 680.0 nM 532.37 Nc1nc(OCc2cc(Br)cs2)c2ncn(CCO[C@@H]3OC(CO)[C@H](O)[C@H](O)C3O)c2n1 Homo sapiens CHEMBL712287 cell-based format
CHEMBL1683162 OBDepict Br S O N + N NH 2 N O _ O N O IC50 = 1000.0 nM 416.26 Nc1nc(OCc2cc(Br)cs2)c([N+](=O)[O-])c(N2CCOCC2)n1 Homo sapiens CHEMBL1687568 single protein format