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Q9Y239 | NOD1_HUMAN | Nucleotide-binding oligomerization domain-containing protein 1 (NOD1)

3D structures mapped by conservation among orthologs

[ Domain: "DEATH domain" // CARD ]

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[ 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
CHEMBL1713298 OBDepict O N H N O F F F IC50 = 80.0 nM 426.44 O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(CN2CCc3ccccc3C2)cc1 Homo sapiens CHEMBL2020290 cell-based format
CHEMBL1521474 OBDepict Cl S N O O NH 2 N IC50 = 90.0 nM 307.76 Nc1nc2ccccc2n1S(=O)(=O)c1ccc(Cl)cc1 Homo sapiens CHEMBL2020290 cell-based format
CHEMBL1569174 OBDepict H 3 C O O HN O N IC50 = 150.0 nM 414.51 CCOC(=O)c1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 Homo sapiens CHEMBL2020290 cell-based format
CHEMBL3321858 OBDepict O N H N N N CH 3 O IC50 = 200.0 nM 502.62 CN(CCc1nc2ccccc2n1CC(=O)Nc1ccc2c(c1)CCC2)C(=O)c1ccc2ccccc2c1 Homo sapiens CHEMBL3363923 cell-based format
CHEMBL4779776 OBDepict H 3 C N N O N S O O O H 3 C F F F IC50 = 230.0 nM 493.51 CCCCc1noc(CC2c3cccc(C)c3S(=O)(=O)N2C(=O)c2cccc(C(F)(F)F)c2)n1 Homo sapiens CHEMBL4773081 cell-based format
CHEMBL1704728 OBDepict CH 3 S N H O N IC50 = 240.0 nM 388.54 CSc1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 Homo sapiens CHEMBL2020290 cell-based format
CHEMBL1732337 OBDepict CH 3 N O S N O O N + N O _ O IC50 = 260.0 nM 470.55 CC1Cc2cc(S(=O)(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)ccc2N1C(=O)C1CC1 Homo sapiens CHEMBL2020290 cell-based format
CHEMBL3321857 OBDepict O N H N N N CH 3 O IC50 = 400.0 nM 452.56 CN(CCc1nc2ccccc2n1CC(=O)Nc1ccc2c(c1)CCC2)C(=O)c1ccccc1 Homo sapiens CHEMBL3363923 cell-based format
CHEMBL1450407 OBDepict H 3 C O N N S O O N CH 3 O IC50 = 510.0 nM 455.58 COc1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)CC(C)N4C(=O)C3CC3)CC2)cc1 Homo sapiens CHEMBL2020290 cell-based format
CHEMBL1700405 OBDepict CH 3 O N H O N IC50 = 510.0 nM 372.47 COc1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 Homo sapiens CHEMBL2020290 cell-based format
CHEMBL1412853 OBDepict H 3 C S N O O NH 2 N IC50 = 560.0 nM 287.34 Cc1ccc(S(=O)(=O)n2c(N)nc3ccccc32)cc1 Homo sapiens CHEMBL2020290 cell-based format
CHEMBL4103835 OBDepict CH 3 O O H N H O N H O O N H O O N CH 3 CH 3 Cl IC50 = 610.0 nM 595.05 COC(=O)CC[C@H]1NC(=O)c2cc(Oc3cccc(N(C)C)c3)c(NC(=O)COCc3ccc(Cl)cc3)cc2NC1=O Homo sapiens CHEMBL4016493 cell-based format
CHEMBL1419822 OBDepict _ O + N O N N N CH 3 O N O H IC50 = 790.0 nM 301.26 Cn1c(=O)[nH]c(=O)c2c1nc([N+](=O)[O-])n2Cc1ccccc1 Homo sapiens CHEMBL3363923 cell-based format
CHEMBL3321853 OBDepict O N H N N N H CH 3 H 3 C O IC50 = 800.0 nM 440.55 CC(C)c1cccc(NC(=O)Cn2c(CCNC(=O)c3ccccc3)nc3ccccc32)c1 Homo sapiens CHEMBL3363923 cell-based format
CHEMBL1612423 OBDepict Cl HN O N IC50 = 830.0 nM 376.89 O=C(Nc1ccc(Cl)cc1)c1ccc(CN2CCc3ccccc3C2)cc1 Homo sapiens CHEMBL2020290 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 CHEMBL4710716 cell-based format
CHEMBL4742329 OBDepict CH 3 O O N N O HN O Cl O F F F IC50 = 890.0 nM 573.96 COC(=O)Cn1cnc2cc(C(=O)NCCCOc3ccc(C(F)(F)F)cc3)c(-c3cccc(Cl)c3)cc2c1=O Homo sapiens CHEMBL4710716 cell-based format
CHEMBL1595049 OBDepict CH 3 N S N N O N CH 3 H O IC50 = 940.0 nM 372.49 CCCCCn1c(SCCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C Homo sapiens CHEMBL3363923 cell-based format
CHEMBL4757010 OBDepict CH 3 S S NH O O F N CH 3 N O IC50 = 1000.0 nM 443.53 CCc1ccc(S(=O)(=O)Nc2cc(-n3c(C)nc4ccccc4c3=O)ccc2F)s1 Homo sapiens CHEMBL4710741 cell-based format