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P40261 | NNMT_HUMAN | Nicotinamide N-methyltransferase (NNMT)

3D structures mapped by conservation among orthologs

[ Domain: "S-adenosyl-L-methionine-dependent methyltransferases" // NNMT_PNMT_TEMT ]

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[ Domain: pdbs with more than 2 multi-domains ]

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[ 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
CHEMBL4591248 OBDepict NH 2 O H H O H HO H 2 N H H N H HO O OH N N N NH 2 Ki = 0.5 nM 509.52 NC(=O)c1cccc(C#C[C@@H](CC[C@H](N)C(=O)O)C[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)c1 Homo sapiens CHEMBL4416333 assay format
CHEMBL4445337 OBDepict NH 2 O N H O H HO H 2 N H H N H HO O OH N N N NH 2 Ki = 6.8 nM 524.54 NC(=O)c1cccc(C#CCN(CC[C@H](N)C(=O)O)C[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)c1 Homo sapiens CHEMBL4324368 cell-based format
CHEMBL4476197 OBDepict NH 2 O CH 3 N H O H HO H 2 N H H N H HO O OH N N N NH 2 Ki = 16.0 nM 538.57 Cc1ccc(C#CCN(CC[C@H](N)C(=O)O)C[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)cc1C(N)=O Homo sapiens CHEMBL4324368 cell-based format
CHEMBL4436698 OBDepict NH 2 O N H O H OH NH 2 H H N H OH O HO N N N H 2 N Ki = 43.0 nM 528.57 NC(=O)c1cccc(CCCN(CC[C@H](N)C(=O)O)C[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)c1 Homo sapiens CHEMBL4324368 cell-based format
CHEMBL4556842 OBDepict NH 2 O CH 3 N H O H OH H 2 N H H N H HO O OH N N N H 2 N Ki = 51.0 nM 542.6 Cc1ccc(CCCN(CC[C@H](N)C(=O)O)C[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)cc1C(N)=O Homo sapiens CHEMBL4324368 cell-based format
CHEMBL4439305 OBDepict CH 3 O O NH 2 N H O H HO H 2 N H H N H HO O OH N N N NH 2 Ki = 52.0 nM 554.56 COc1ccc(C(N)=O)cc1C#CCN(CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL4324368 cell-based format
CHEMBL4788121 OBDepict HO N H H N HN N O NH 2 F CH 3 CH 3 IC50 = 57.0 nM 339.42 CC(C)(F)CCCNc1ncc(C(N)=O)c(N[C@@H](CO)C2CC2)n1 Homo sapiens CHEMBL4714713 single protein format
CHEMBL4791213 OBDepict OH N H N HN N O NH 2 F H 3 C H 3 C IC50 = 74.0 nM 325.39 CC(C)(F)CCCNc1ncc(C(N)=O)c(NC2(CO)CC2)n1 Homo sapiens CHEMBL4714713 single protein format
CHEMBL4522203 OBDepict NH 2 O H 3 C N H O H HO H 2 N H H N H HO O OH N N N NH 2 Ki = 150.0 nM 542.6 Cc1ccc(C(N)=O)cc1CCCN(CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL4324368 cell-based format
CHEMBL4240266 OBDepict Cl N O H 3 C CH 3 HN O F F F + N O _ O IC50 = 180.0 nM 485.89 CC(C)CCN(C(=O)CCl)c1cc(C(=O)NCc2cccc([N+](=O)[O-])c2)cc(C(F)(F)F)c1 Homo sapiens CHEMBL4232625 assay format
CHEMBL4238968 OBDepict Cl NH O N H O F F F CH 3 H 3 C Cl N IC50 = 200.0 nM 462.3 CC(C)CCc1c(NC(=O)CCl)cc(C(=O)Nc2cccnc2Cl)cc1C(F)(F)F Homo sapiens CHEMBL4232625 assay format
CHEMBL4760694 OBDepict HO N H H N HN N O NH 2 F CH 3 CH 3 IC50 = 385.0 nM 339.42 CC(C)(F)CCCNc1ncc(C(N)=O)c(N[C@H](CO)C2CC2)n1 Homo sapiens CHEMBL4714713 single protein format
CHEMBL4218848 OBDepict CH 3 N H N O NH 2 IC50 = 512.0 nM 151.17 CNc1ccc(C(N)=O)cn1 Homo sapiens CHEMBL4188597 single protein format
CHEMBL4437502 OBDepict H 2 N O N H O H OH H N H OH H 2 N H O OH N N N NH 2 Ki = 540.0 nM 556.62 NC(=O)c1cccc(CCCCN(CCC[C@H](N)C(=O)O)C[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)c1 Homo sapiens CHEMBL4324368 cell-based format
CHEMBL4217817 OBDepict CH 3 O N N O NH 2 IC50 = 580.0 nM 153.14 COc1ccc(C(N)=O)nn1 Homo sapiens CHEMBL4188597 single protein format
CHEMBL4218043 OBDepict H 3 C O N H 3 C O H 2 N IC50 = 588.0 nM 166.18 COc1cc(C)c(C(N)=O)cn1 Homo sapiens CHEMBL4188597 single protein format
CHEMBL2349526 OBDepict NH 2 N N Br N H O H OH H H HO S NH 2 H O HO Ki = 750.0 nM 462.33 Nc1ncnc2c1c(Br)cn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O Homo sapiens CHEMBL2350640 single protein format
CHEMBL4557645 OBDepict H 2 N O N H O H HO H 2 N H H N H OH O OH N N N NH 2 Ki = 840.0 nM 542.6 NC(=O)c1cccc(CCCCN(CC[C@H](N)C(=O)O)C[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)c1 Homo sapiens CHEMBL4324368 cell-based format
CHEMBL4240644 OBDepict CH 3 O N O N F F F O Cl CH 3 H 3 C IC50 = 870.0 nM 482.93 COc1ccc2c(c1)CN(C(=O)c1cc(N(CCC(C)C)C(=O)CCl)cc(C(F)(F)F)c1)C2 Homo sapiens CHEMBL4232624 assay format
CHEMBL4207500 OBDepict H 2 N O N O D D D IC50 = 922.1 nM 155.17 [2H]C([2H])([2H])Oc1ccc(C(N)=O)cn1 Homo sapiens CHEMBL4188597 single protein format
CHEMBL4246425 OBDepict Cl N O H 3 C CH 3 HN O F F F F F IC50 = 1000.0 nM 476.87 CC(C)CCN(C(=O)CCl)c1cc(C(=O)NCc2c(F)cccc2F)cc(C(F)(F)F)c1 Homo sapiens CHEMBL4232624 assay format