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Q9HC29 | NOD2_HUMAN | Nucleotide-binding oligomerization domain-containing protein 2 (NOD2)

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
CHEMBL4781373 OBDepict CH 3 S N H O O O H 3 C O H 3 C H 2 N N N NH IC50 = 1.0 nM 511.65 CCCS(=O)(=O)Nc1cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)cc(OC)c1OC Homo sapiens CHEMBL4771085 cell-based format
CHEMBL4847211 OBDepict CH 3 N H 3 C O N H N N N O CH 3 H 3 C Cl Cl IC50 = 3.0 nM 554.52 CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(CC(C)C)c3n2)cc1 Homo sapiens CHEMBL4815730 cell-based format
CHEMBL4853179 OBDepict CH 3 N H 3 C O N H N N N CH 3 O Cl IC50 = 4.0 nM 478.0 CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4ccccc4Cl)c(=O)n(C)c3n2)cc1 Homo sapiens CHEMBL4815730 cell-based format
CHEMBL4514780 OBDepict HO O S N O O CH 3 CH 3 CH 3 N NH N S IC50 = 4.0 nM 458.57 CC(C)(C)S(=O)(=O)c1cc2c(Nc3ccc4scnc4c3)ncnc2cc1OCCO Homo sapiens CHEMBL4367438 cell-based format
CHEMBL4870434 OBDepict CH 3 N H 3 C O N H N N N CH 3 O HO IC50 = 5.0 nM 459.55 CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4ccc(O)cc4)c(=O)n(C)c3n2)cc1 Homo sapiens CHEMBL4815730 cell-based format
CHEMBL4858463 OBDepict CH 3 N H 3 C O N H N N N O Cl Cl IC50 = 9.0 nM 588.54 CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(Cc4ccccc4)c3n2)cc1 Homo sapiens CHEMBL4815730 cell-based format
CHEMBL4859716 OBDepict CH 3 O N N O N N H Cl Cl O N CH 3 CH 3 IC50 = 13.0 nM 556.49 CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(CCOC)c3n2)cc1 Homo sapiens CHEMBL4815730 cell-based format
CHEMBL136244 OBDepict CH 3 N H 3 C O N H N N N CH 3 O IC50 = 14.0 nM 443.55 CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4ccccc4)c(=O)n(C)c3n2)cc1 Homo sapiens CHEMBL4815730 cell-based format
CHEMBL136106 OBDepict CH 3 N H 3 C O N H N N N H 3 C O IC50 = 15.0 nM 457.58 CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4ccccc4)c(=O)n(CC)c3n2)cc1 Homo sapiens CHEMBL4815730 cell-based format
CHEMBL4799077 OBDepict H 3 C S NH O O O CH 3 F NH 2 N N HN IC50 = 16.0 nM 499.61 CCCS(=O)(=O)Nc1cc(-c2cc(-c3cccc(N4CCNCC4)c3)cnc2N)cc(F)c1OC Homo sapiens CHEMBL4771085 cell-based format
CHEMBL4861488 OBDepict Cl O N CH 3 N N N H S O O H 3 C IC50 = 20.0 nM 440.91 Cn1c(=O)c(-c2ccccc2Cl)cc2cnc(Nc3cccc(S(C)(=O)=O)c3)nc21 Homo sapiens CHEMBL4815730 cell-based format
CHEMBL4864600 OBDepict Cl Cl O N CH 3 N N N H S O O H 3 C IC50 = 22.0 nM 475.36 Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3cccc(S(C)(=O)=O)c3)nc21 Homo sapiens CHEMBL4815730 cell-based format
CHEMBL4789724 OBDepict CH 3 S N H O O O H 3 C F H 2 N N N NH IC50 = 26.0 nM 499.61 CCCS(=O)(=O)Nc1cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)cc(F)c1OC Homo sapiens CHEMBL4771085 cell-based format
CHEMBL1713298 OBDepict O N H N O F F F IC50 = 30.0 nM 426.44 O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(CN2CCc3ccccc3C2)cc1 Homo sapiens CHEMBL2020291 cell-based format
CHEMBL49120 OBDepict CH 3 N H 3 C O N H N N N CH 3 O Cl Cl IC50 = 37.0 nM 512.44 CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1 Homo sapiens CHEMBL4815730 cell-based format
CHEMBL4795976 OBDepict CH 3 O N H S O O H 3 C CH 3 H 2 N N N NH IC50 = 46.0 nM 495.65 CCOc1cc(NS(=O)(=O)C(C)C)cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)c1 Homo sapiens CHEMBL4771085 cell-based format
CHEMBL4793153 OBDepict CH 3 S N H O O O H 3 C Cl H 2 N N N NH IC50 = 46.0 nM 516.07 CCCS(=O)(=O)Nc1cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)cc(Cl)c1OC Homo sapiens CHEMBL4771085 cell-based format
CHEMBL4776631 OBDepict H 3 C O N H S O O NH 2 N N N H IC50 = 53.0 nM 515.64 COc1cc(NS(=O)(=O)c2ccccc2)cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)c1 Homo sapiens CHEMBL4771085 cell-based format
CHEMBL4781705 OBDepict CH 3 O N H S O O CH 3 H 3 C NH 2 N N HN IC50 = 121.0 nM 481.62 COc1cc(NS(=O)(=O)C(C)C)cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)c1 Homo sapiens CHEMBL4771085 cell-based format
CHEMBL4788375 OBDepict CH 3 S N H O O O H 3 C H 3 C H 2 N N N NH IC50 = 129.0 nM 495.65 CCCS(=O)(=O)Nc1cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)cc(C)c1OC Homo sapiens CHEMBL4771085 cell-based format
CHEMBL4868894 OBDepict Cl Cl O N CH 3 N N N H S O O CH 3 IC50 = 136.0 nM 475.36 Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccc(S(C)(=O)=O)cc3)nc21 Homo sapiens CHEMBL4815730 cell-based format
CHEMBL4849134 OBDepict CH 3 N H 3 C O N H N N N CH 3 O Cl Cl IC50 = 160.0 nM 512.44 CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4ccc(Cl)cc4Cl)c(=O)n(C)c3n2)cc1 Homo sapiens CHEMBL4815730 cell-based format
CHEMBL1732337 OBDepict CH 3 N O S N O O N + N O _ O IC50 = 200.0 nM 470.55 CC1Cc2cc(S(=O)(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)ccc2N1C(=O)C1CC1 Homo sapiens CHEMBL2020291 cell-based format
CHEMBL4867716 OBDepict F Cl O N CH 3 N N N H S O O H 3 C IC50 = 218.0 nM 458.9 Cn1c(=O)c(-c2ccc(F)cc2Cl)cc2cnc(Nc3cccc(S(C)(=O)=O)c3)nc21 Homo sapiens CHEMBL4815730 cell-based format
CHEMBL4800115 OBDepict H 3 C S N H O O O H 3 C NH 2 N N N H IC50 = 243.0 nM 481.62 CCCS(=O)(=O)Nc1cc(OC)cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)c1 Homo sapiens CHEMBL4771085 cell-based format
CHEMBL1704728 OBDepict CH 3 S N H O N IC50 = 260.0 nM 388.54 CSc1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 Homo sapiens CHEMBL2020291 cell-based format
CHEMBL4871544 OBDepict OH N N O N N H O N CH 3 CH 3 IC50 = 270.0 nM 473.58 CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4ccccc4)c(=O)n(CCO)c3n2)cc1 Homo sapiens CHEMBL4815730 cell-based format
CHEMBL4792496 OBDepict H 3 C O CH 3 N H S O O CH 3 H 3 C NH 2 N N HN IC50 = 323.0 nM 509.68 CC(C)Oc1cc(NS(=O)(=O)C(C)C)cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)c1 Homo sapiens CHEMBL4771085 cell-based format
CHEMBL4782505 OBDepict H 3 C S NH O O O CH 3 F N N HN IC50 = 352.0 nM 484.6 CCCS(=O)(=O)Nc1cc(-c2cncc(-c3ccc(N4CCNCC4)cc3)c2)cc(F)c1OC Homo sapiens CHEMBL4771085 cell-based format
CHEMBL1450407 OBDepict H 3 C O N N S O O N CH 3 O IC50 = 390.0 nM 455.58 COc1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)CC(C)N4C(=O)C3CC3)CC2)cc1 Homo sapiens CHEMBL2020291 cell-based format
CHEMBL4784430 OBDepict CH 3 O N H S O O CH 3 NH 2 N N HN IC50 = 390.0 nM 453.57 COc1cc(NS(C)(=O)=O)cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)c1 Homo sapiens CHEMBL4771085 cell-based format
CHEMBL1569174 OBDepict H 3 C O O HN O N IC50 = 400.0 nM 414.51 CCOC(=O)c1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 Homo sapiens CHEMBL2020291 cell-based format
CHEMBL4786742 OBDepict CH 3 S N H O O O H 3 C H 2 N N N NH IC50 = 420.0 nM 481.62 CCCS(=O)(=O)Nc1cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)ccc1OC Homo sapiens CHEMBL4771085 cell-based format
CHEMBL4875011 OBDepict CH 3 Cl O N H 3 C N N N H S O O H 3 C IC50 = 480.0 nM 454.94 Cc1ccc(-c2cc3cnc(Nc4cccc(S(C)(=O)=O)c4)nc3n(C)c2=O)c(Cl)c1 Homo sapiens CHEMBL4815730 cell-based format
CHEMBL4792557 OBDepict CH 3 O O N S O O O H 3 C F F F IC50 = 480.0 nM 469.48 CCCCOC(=O)CC1c2cccc(C)c2S(=O)(=O)N1C(=O)c1ccccc1C(F)(F)F Homo sapiens CHEMBL4773082 cell-based format
CHEMBL4852513 OBDepict CH 3 N H 3 C O N H N N N CH 3 O O H 3 C IC50 = 510.0 nM 473.58 CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4ccc(OC)cc4)c(=O)n(C)c3n2)cc1 Homo sapiens CHEMBL4815730 cell-based format
CHEMBL4792227 OBDepict CH 3 O N H S O O CH 3 H 3 C CH 3 N N HN IC50 = 523.0 nM 480.63 COc1cc(NS(=O)(=O)C(C)C)cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2C)c1 Homo sapiens CHEMBL4771085 cell-based format
CHEMBL1569954 OBDepict H 3 C O HN O N IC50 = 570.0 nM 386.5 CCOc1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 Homo sapiens CHEMBL2020291 cell-based format
CHEMBL4781201 OBDepict CH 3 O F O CH 3 H 2 N N N NH IC50 = 595.0 nM 408.48 COc1cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)cc(F)c1OC Homo sapiens CHEMBL4771085 cell-based format
CHEMBL1709705 OBDepict CH 3 N O H 3 C S N O O N Cl IC50 = 600.0 nM 447.99 CCC(=O)N1c2ccc(S(=O)(=O)N3CCN(c4ccc(Cl)cc4)CC3)cc2CC1C Homo sapiens CHEMBL2020291 cell-based format
CHEMBL4778195 OBDepict O HN N N N S CH 3 O O IC50 = 630.0 nM 488.61 CN(CCc1nc2ccccc2n1CC(=O)Nc1ccc2c(c1)CCC2)S(=O)(=O)c1ccccc1 Homo sapiens CHEMBL4767807 cell-based format
CHEMBL4853711 OBDepict Cl Cl O N H 3 C N N N H S O O CH 3 IC50 = 730.0 nM 475.36 Cn1c(=O)c(-c2cc(Cl)ccc2Cl)cc2cnc(Nc3cccc(S(C)(=O)=O)c3)nc21 Homo sapiens CHEMBL4815730 cell-based format
CHEMBL1419822 OBDepict _ O + N O N N N CH 3 O N O H IC50 = 750.0 nM 301.26 Cn1c(=O)[nH]c(=O)c2c1nc([N+](=O)[O-])n2Cc1ccccc1 Homo sapiens CHEMBL3363924 cell-based format
CHEMBL1700405 OBDepict CH 3 O N H O N IC50 = 780.0 nM 372.47 COc1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 Homo sapiens CHEMBL2020291 cell-based format
CHEMBL4781741 OBDepict O N H O O N N O H N CH 3 CH 3 F F F IC50 = 800.0 nM 512.49 CN(C)c1cccc(Oc2cc3c(=O)[nH]cnc3cc2NC(=O)COCc2ccc(C(F)(F)F)cc2)c1 Homo sapiens CHEMBL4710717 cell-based format
CHEMBL4750880 OBDepict Cl NH O N O N H O F F F IC50 = 840.0 nM 501.89 O=C(NCCCOc1ccc(C(F)(F)F)cc1)c1cc2nc[nH]c(=O)c2cc1-c1cccc(Cl)c1 Homo sapiens CHEMBL4710717 cell-based format
CHEMBL4859351 OBDepict Cl Cl O N CH 3 N N N H S O O H 3 C IC50 = 878.0 nM 475.36 Cn1c(=O)c(-c2ccc(Cl)cc2Cl)cc2cnc(Nc3cccc(S(C)(=O)=O)c3)nc21 Homo sapiens CHEMBL4815730 cell-based format
CHEMBL4784208 OBDepict H 3 C O O N S O O O H 3 C F F F IC50 = 930.0 nM 469.48 CCCCOC(=O)CC1c2cccc(C)c2S(=O)(=O)N1C(=O)c1cccc(C(F)(F)F)c1 Homo sapiens CHEMBL4773082 cell-based format
CHEMBL4080835 OBDepict O HN O O NH O O N H H CH 3 N CH 3 H 3 C F F F IC50 = 940.0 nM 556.54 C[C@@H]1NC(=O)c2cc(Oc3cccc(N(C)C)c3)c(NC(=O)COCc3ccc(C(F)(F)F)cc3)cc2NC1=O Homo sapiens CHEMBL4016497 cell-based format
CHEMBL4852860 OBDepict CH 3 N H 3 C O N H N N N CH 3 O Cl IC50 = 950.0 nM 478.0 CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4ccc(Cl)cc4)c(=O)n(C)c3n2)cc1 Homo sapiens CHEMBL4815730 cell-based format
CHEMBL4794272 OBDepict CH 3 O O N N O O N H O O N CH 3 H 3 C F F F IC50 = 990.0 nM 584.55 COC(=O)Cn1cnc2cc(NC(=O)COCc3ccc(C(F)(F)F)cc3)c(Oc3cccc(N(C)C)c3)cc2c1=O Homo sapiens CHEMBL4710717 cell-based format
CHEMBL4742329 OBDepict CH 3 O O N N O HN O Cl O F F F IC50 = 1000.0 nM 573.96 COC(=O)Cn1cnc2cc(C(=O)NCCCOc3ccc(C(F)(F)F)cc3)c(-c3cccc(Cl)c3)cc2c1=O Homo sapiens CHEMBL4710717 cell-based format