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P18510 | IL1RA_HUMAN | Interleukin-1 receptor antagonist protein (IL1RN)

3D structures mapped by conservation among orthologs

[ Domain: "beta-Trefoil" // IL1 ]

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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
CHEMBL4101200 OBDepict CH H NH O P O OH H NH 2 H O NH 2 IC50 = 2.0 nM 455.5 C#CC[C@H](CP(=O)(O)[C@@H](N)CCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Homo sapiens CHEMBL4321135 single protein format
CHEMBL1277623 OBDepict O NH H HN H S NH O O S H H 2 N HO O HO Ki = 10.9 nM 560.7 N[C@H]1CCSSC[C@@H](C(=O)NCc2ccccc2CC(=O)O)NC(=O)C[C@H](Cc2ccc(O)cc2)NC1=O Homo sapiens CHEMBL4699776 cell-based format
CHEMBL1277623 OBDepict O NH H HN H S NH O O S H H 2 N HO O HO IC50 = 18.0 nM 560.7 N[C@H]1CCSSC[C@@H](C(=O)NCc2ccccc2CC(=O)O)NC(=O)C[C@H](Cc2ccc(O)cc2)NC1=O Homo sapiens CHEMBL4699775 cell-based format
CHEMBL4762305 OBDepict O HN H NH H S HN O O S H NH 2 OH O NH 2 Ki = 23.7 nM 559.71 NC(=O)Cc1ccccc1CNC(=O)[C@@H]1CSSCC[C@H](N)C(=O)N[C@@H](Cc2ccc(O)cc2)CC(=O)N1 Homo sapiens CHEMBL4699776 cell-based format
CHEMBL4762305 OBDepict O HN H NH H S HN O O S H NH 2 OH O NH 2 IC50 = 39.0 nM 559.71 NC(=O)Cc1ccccc1CNC(=O)[C@@H]1CSSCC[C@H](N)C(=O)N[C@@H](Cc2ccc(O)cc2)CC(=O)N1 Homo sapiens CHEMBL4699775 cell-based format
CHEMBL4753417 OBDepict O HN H NH H S HN O O S H NH 2 F O NH 2 Ki = 200.5 nM 561.71 NC(=O)Cc1ccccc1CNC(=O)[C@@H]1CSSCC[C@H](N)C(=O)N[C@@H](Cc2ccc(F)cc2)CC(=O)N1 Homo sapiens CHEMBL4699776 cell-based format
CHEMBL4753417 OBDepict O HN H NH H S HN O O S H NH 2 F O NH 2 IC50 = 330.0 nM 561.71 NC(=O)Cc1ccccc1CNC(=O)[C@@H]1CSSCC[C@H](N)C(=O)N[C@@H](Cc2ccc(F)cc2)CC(=O)N1 Homo sapiens CHEMBL4699775 cell-based format
CHEMBL4745618 OBDepict O HN H NH H N H O O NH H H 2 N O OH O HO Ki = 674.4 nM 553.62 N[C@H]1CCC(=O)NCC[C@@H](C(=O)NCc2ccccc2CC(=O)O)NC(=O)C[C@H](Cc2ccc(O)cc2)NC1=O Homo sapiens CHEMBL4699776 cell-based format
CHEMBL4787513 OBDepict O HN H NH H N H O O H H 2 N O N H OH O HO Ki = 887.0 nM 553.62 N[C@H]1CCNC(=O)CC[C@@H](C(=O)NCc2ccccc2CC(=O)O)NC(=O)C[C@H](Cc2ccc(O)cc2)NC1=O Homo sapiens CHEMBL4699776 cell-based format