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Q14145 | KEAP1_HUMAN | Kelch-like ECH-associated protein 1 (KEAP1)

3D structures mapped by conservation among orthologs

[ Domain: "POZ domain" // BTB ]

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[ Domain: "POZ domain" // BACK,BTB ]

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[ Domain: "6-bladed" // Kelch_1 ]

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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
CHEMBL3819587 OBDepict CH 3 O N N CH 3 N H O OH H 3 C N S O O H CH 3 O Ki = 1.0 nM 550.64 COc1cc([C@@H](CC(=O)O)c2ccc(C)c(CN3C[C@@H](C)Oc4ccccc4S3(=O)=O)c2)cc2nnn(C)c12 Homo sapiens CHEMBL4376067 assay format
CHEMBL3819587 OBDepict CH 3 O N N CH 3 N H O OH H 3 C N S O O H CH 3 O IC50 = 8.0 nM 550.64 COc1cc([C@@H](CC(=O)O)c2ccc(C)c(CN3C[C@@H](C)Oc4ccccc4S3(=O)=O)c2)cc2nnn(C)c12 Homo sapiens CHEMBL4376067 assay format
CHEMBL4450921 OBDepict CH 3 O N N CH 3 N O OH H 3 C N S O O H CH 3 O IC50 = 10.0 nM 550.64 COc1cc(C(CC(=O)O)c2ccc(C)c(CN3C[C@@H](C)Oc4ccccc4S3(=O)=O)c2)cc2nnn(C)c12 Homo sapiens CHEMBL4386551 cell-based format
CHEMBL4175603 OBDepict CH 3 H N O N N O HO IC50 = 10.0 nM 457.57 CCCC[C@@H]1CCCN1C(=O)c1cccc(-c2cccc(-n3ncc(C(=O)O)c3C3CC3)c2)c1 Homo sapiens CHEMBL4149494 single protein format
CHEMBL4440989 OBDepict CH 3 N O H H N N O HO Ki = 13.0 nM 463.62 CCCCC1CCCN1C(=O)[C@@H]1CCC[C@H](c2cccc(-n3ncc(C(=O)O)c3C3CC3)c2)C1 Homo sapiens CHEMBL4376067 assay format
CHEMBL4755442 OBDepict H 3 C O N N N H H 3 C O OH H 3 C N S O O H CH 3 O IC50 < 15.0 nM 564.66 COc1cc([C@@H](CC(=O)O)c2ccc(C)c(CN3CC[C@@H](C)Oc4ccccc4S3(=O)=O)c2)cc2c1nnn2C Homo sapiens CHEMBL4670741 cell-based format
CHEMBL4447060 OBDepict CH 3 O N N CH 3 N O OH H 3 C N S O O CH 3 O IC50 = 20.0 nM 550.64 COc1cc(C(CC(=O)O)c2ccc(C)c(CN3CC(C)Oc4ccccc4S3(=O)=O)c2)cc2nnn(C)c12 Homo sapiens CHEMBL4386551 cell-based format
CHEMBL4578025 OBDepict CH 3 O N N CH 3 N H O OH H 3 C N S O O H CH 3 O IC50 = 24.0 nM 550.64 COc1cc([C@H](CC(=O)O)c2ccc(C)c(CN3C[C@@H](C)Oc4ccccc4S3(=O)=O)c2)cc2nnn(C)c12 Homo sapiens CHEMBL4386551 cell-based format
CHEMBL4540327 OBDepict CH 3 O N N CH 3 N O OH H 3 C N S O O N H 3 C IC50 = 37.0 nM 549.65 COc1cc(C(CC(=O)O)c2ccc(C)c(CN3CCN(C)c4ccccc4S3(=O)=O)c2)cc2nnn(C)c12 Homo sapiens CHEMBL4386551 cell-based format
CHEMBL4457466 OBDepict CH 3 O N N CH 3 N O OH H 3 C N S O O H CH 3 O IC50 = 42.0 nM 550.64 COc1cc(C(CC(=O)O)c2ccc(C)c(CN3C[C@H](C)Oc4ccccc4S3(=O)=O)c2)cc2nnn(C)c12 Homo sapiens CHEMBL4386551 cell-based format
CHEMBL4588743 OBDepict H 3 C O S N O O O HO N H O OH IC50 = 43.0 nM 484.53 COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(N3CCC[C@H]3C(=O)O)c3ccccc23)cc1 Homo sapiens CHEMBL4367553 single protein format
CHEMBL4464511 OBDepict CH 3 O N N CH 3 N O OH H 3 C N S O O O IC50 = 47.0 nM 536.61 COc1cc(C(CC(=O)O)c2ccc(C)c(CN3CCOc4ccccc4S3(=O)=O)c2)cc2nnn(C)c12 Homo sapiens CHEMBL4386551 cell-based format
CHEMBL3899754 OBDepict OH O H N HN S O O CH 3 CH 3 H 3 C H 3 C Ki = 48.0 nM 452.58 Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc(N3CC[C@H](C(=O)O)C3)c3ccccc23)c1C Homo sapiens CHEMBL4376067 assay format
CHEMBL4440989 OBDepict CH 3 N O H H N N O HO IC50 = 63.0 nM 463.62 CCCCC1CCCN1C(=O)[C@@H]1CCC[C@H](c2cccc(-n3ncc(C(=O)O)c3C3CC3)c2)C1 Homo sapiens CHEMBL4376097 single protein format
CHEMBL4554007 OBDepict CH 3 O N N CH 3 N O OH H 3 C N S CH 3 O O IC50 = 69.0 nM 508.6 COc1cc(C(CC(=O)O)c2ccc(C)c(CN(C)S(=O)(=O)c3ccccc3)c2)cc2nnn(C)c12 Homo sapiens CHEMBL4386551 cell-based format
CHEMBL4639381 OBDepict OH O H H N O H N OH O O IC50 = 98.0 nM 462.5 O=C(O)[C@H]1CCCC[C@H]1C(=O)N1CCc2c(O)cccc2[C@H]1CN1C(=O)c2ccccc2C1=O Homo sapiens CHEMBL4615773 assay format
CHEMBL3827626 OBDepict OH O H N HN S O O CH 3 CH 3 H 3 C H 3 C IC50 = 100.0 nM 452.58 Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc(N3CC[C@@H](C(=O)O)C3)c3ccccc23)c1C Homo sapiens CHEMBL3829092 single protein format
CHEMBL3617852 OBDepict H 3 C O S HN O O N S O O O CH 3 O OH IC50 = 110.0 nM 556.62 COc1ccc(S(=O)(=O)Nc2ccc(N(CC(=O)O)S(=O)(=O)c3ccc(OC)cc3)c3ccccc23)cc1 Homo sapiens CHEMBL3637038 cell-based format
CHEMBL4632368 OBDepict H 3 C O S HN O O N S O O CH 3 O CH 3 O OH IC50 = 126.0 nM 570.65 COc1ccc(S(=O)(=O)Nc2ccc(N(C(C)C(=O)O)S(=O)(=O)c3ccc(OC)cc3)c3ccccc23)cc1 Homo sapiens CHEMBL4605739 assay format
CHEMBL4473977 OBDepict HO O N N N H 3 C N CH 3 S CH 3 O O IC50 = 130.0 nM 478.57 Cc1ccc(C(CC(=O)O)c2ccc3c(c2)nnn3C)cc1CN(C)S(=O)(=O)c1ccccc1 Homo sapiens CHEMBL4386551 cell-based format
CHEMBL3899754 OBDepict OH O H N HN S O O CH 3 CH 3 H 3 C H 3 C IC50 = 140.0 nM 452.58 Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc(N3CC[C@H](C(=O)O)C3)c3ccccc23)c1C Homo sapiens CHEMBL4149487 single protein format
CHEMBL4632722 OBDepict CH 3 O S O O N S O O H 3 C H O CH 3 O OH IC50 = 151.0 nM 569.66 COc1ccc(S(=O)(=O)Cc2ccc(N([C@H](C)C(=O)O)S(=O)(=O)c3ccc(OC)cc3)c3ccccc23)cc1 Homo sapiens CHEMBL4605739 assay format
CHEMBL4454051 OBDepict CH 3 O N N CH 3 N O OH N S O O CH 3 O IC50 = 180.0 nM 536.61 COc1cc(C(CC(=O)O)c2cccc(CN3CC(C)Oc4ccccc4S3(=O)=O)c2)cc2nnn(C)c12 Homo sapiens CHEMBL4386551 cell-based format
CHEMBL4636738 OBDepict OH O N H N O H O O H O OH IC50 = 183.0 nM 506.56 O=C(O)[C@H]1CCCC[C@H]1C(=O)N1CCc2c(OCCO)cccc2[C@H]1CN1C(=O)c2ccccc2C1=O Homo sapiens CHEMBL4615773 assay format
CHEMBL4641126 OBDepict H 3 C O S O O N S O O CH 3 O CH 3 O OH IC50 = 189.0 nM 569.66 COc1ccc(S(=O)(=O)Cc2ccc(N(C(C)C(=O)O)S(=O)(=O)c3ccc(OC)cc3)c3ccccc23)cc1 Homo sapiens CHEMBL4605739 assay format
CHEMBL3827019 OBDepict OH O N HN S O O CH 3 CH 3 H 3 C H 3 C IC50 = 200.0 nM 452.58 Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc(N3CCC(C(=O)O)C3)c3ccccc23)c1C Homo sapiens CHEMBL3829092 single protein format
CHEMBL3827630 OBDepict HO O H N HN S O O S CH 3 Cl IC50 = 200.0 nM 501.03 Cc1c(S(=O)(=O)Nc2ccc(N3CC[C@@H](C(=O)O)C3)c3ccccc23)sc2ccc(Cl)cc12 Homo sapiens CHEMBL3829092 single protein format
CHEMBL4647946 OBDepict CH 3 O S O O N S O O H 3 C H O CH 3 O OH IC50 = 241.0 nM 569.66 COc1ccc(S(=O)(=O)Cc2ccc(N([C@@H](C)C(=O)O)S(=O)(=O)c3ccc(OC)cc3)c3ccccc23)cc1 Homo sapiens CHEMBL4605739 assay format
CHEMBL2402207 OBDepict CH 3 O S NH O O N H S O O O H 3 C Ki = 250.0 nM 498.58 COc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccc(OC)cc3)c3ccccc23)cc1 Homo sapiens CHEMBL4376067 assay format
CHEMBL4634711 OBDepict OH N H N O H O O H O OH IC50 = 254.0 nM 500.55 O=C(O)[C@H]1CCCC[C@H]1C(=O)N1CCc2c(C#CCO)cccc2[C@H]1CN1C(=O)c2ccccc2C1=O Homo sapiens CHEMBL4615773 assay format
CHEMBL4567490 OBDepict CH 3 O N N H 3 C N O OH CH 3 N S CH 3 O O O IC50 = 260.0 nM 550.64 COc1cc(C(CC(=O)O)c2ccc(C)c(CN3C(C)COc4ccccc4S3(=O)=O)c2)cc2nnn(C)c12 Homo sapiens CHEMBL4386551 cell-based format
CHEMBL3818085 OBDepict OH O H N N N Cl N CH 3 S CH 3 O O IC50 = 270.0 nM 498.99 CN(Cc1cc([C@H](CC(=O)O)c2ccc3c(c2)nnn3C)ccc1Cl)S(=O)(=O)c1ccccc1 Homo sapiens CHEMBL3822030 cell-based format
CHEMBL4440603 OBDepict CH 3 O S N O O O HO HN H O HO IC50 = 300.0 nM 534.59 COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(N[C@@H](Cc3ccccc3)C(=O)O)c3ccccc23)cc1 Homo sapiens CHEMBL4367553 single protein format
CHEMBL4542179 OBDepict OH O N N N Cl N CH 3 S H 3 C O O N CH 3 N H 3 C IC50 = 320.0 nM 517.01 Cc1c(S(=O)(=O)N(C)Cc2cc(C(CC(=O)O)c3ccc4c(c3)nnn4C)ccc2Cl)cnn1C Homo sapiens CHEMBL4386551 cell-based format
CHEMBL3827061 OBDepict HO O H N HN S O O S CH 3 N IC50 = 400.0 nM 493.61 Cc1nc(-c2ccccc2)sc1S(=O)(=O)Nc1ccc(N2CC[C@@H](C(=O)O)C2)c2ccccc12 Homo sapiens CHEMBL3829092 single protein format
CHEMBL3632882 OBDepict CH 3 O O N S O O O H 3 C NH S O O O CH 3 IC50 = 400.0 nM 584.67 CCOC(=O)CN(c1ccc(NS(=O)(=O)c2ccc(OC)cc2)c2ccccc12)S(=O)(=O)c1ccc(OC)cc1 Homo sapiens CHEMBL3637038 cell-based format
CHEMBL4522423 OBDepict CH 3 O S N O O O HO HN H O HO O OH IC50 = 450.0 nM 502.5 COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(N[C@@H](CC(=O)O)C(=O)O)c3ccccc23)cc1 Homo sapiens CHEMBL4367553 single protein format
CHEMBL4438752 OBDepict CH 3 O S N O O O HO HN H O HO O OH IC50 = 550.0 nM 516.53 COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(N[C@@H](CCC(=O)O)C(=O)O)c3ccccc23)cc1 Homo sapiens CHEMBL4367553 single protein format
CHEMBL2381968 OBDepict OH O H H N O H N O O Ki = 560.0 nM 446.5 O=C(O)[C@H]1CCCC[C@H]1C(=O)N1CCc2ccccc2[C@H]1CN1C(=O)c2ccccc2C1=O Homo sapiens CHEMBL4376067 assay format
CHEMBL4570791 OBDepict OH O N N N Cl N CH 3 S CH 3 O O N IC50 = 580.0 nM 499.98 CN(Cc1cc(C(CC(=O)O)c2ccc3c(c2)nnn3C)ccc1Cl)S(=O)(=O)c1cccnc1 Homo sapiens CHEMBL4386551 cell-based format
CHEMBL4462141 OBDepict H 3 C O S N O O O HO NH H O OH N H IC50 = 590.0 nM 573.63 COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(N[C@@H](Cc3c[nH]c4ccccc34)C(=O)O)c3ccccc23)cc1 Homo sapiens CHEMBL4367553 single protein format
CHEMBL4634673 OBDepict H 3 C O S O O N S O O O CH 3 O OH IC50 = 678.0 nM 555.63 COc1ccc(S(=O)(=O)Cc2ccc(N(CC(=O)O)S(=O)(=O)c3ccc(OC)cc3)c3ccccc23)cc1 Homo sapiens CHEMBL4605739 assay format
CHEMBL3827496 OBDepict OH O H N N HN S O O CH 3 CH 3 H 3 C H 3 C IC50 = 700.0 nM 453.56 Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc(N3CC[C@@H](C(=O)O)C3)c3ncccc23)c1C Homo sapiens CHEMBL3829092 single protein format
CHEMBL4167793 OBDepict OH O H H N O H N CH 3 O O IC50 = 750.0 nM 460.53 Cc1cccc2c1CCN(C(=O)[C@@H]1CCCC[C@@H]1C(=O)O)[C@@H]2CN1C(=O)c2ccccc2C1=O Homo sapiens CHEMBL4138520 assay format
CHEMBL3890847 OBDepict H 3 C N H N O H O H O OH IC50 = 750.0 nM 446.55 Cc1cccc2c1CCN(C(=O)[C@@H]1CCCC[C@@H]1C(=O)O)[C@@H]2CN1Cc2ccccc2C1=O Homo sapiens CHEMBL3864472 assay format
CHEMBL2381968 OBDepict OH O H H N O H N O O IC50 = 792.0 nM 446.5 O=C(O)[C@H]1CCCC[C@H]1C(=O)N1CCc2ccccc2[C@H]1CN1C(=O)c2ccccc2C1=O Homo sapiens CHEMBL4615773 assay format
CHEMBL4638389 OBDepict H N N O O O H HO H O OH IC50 = 862.0 nM 434.45 O=C(O)[C@H]1CC[C@H]1C(=O)N1CCc2c(O)cccc2[C@H]1CN1C(=O)c2ccccc2C1=O Homo sapiens CHEMBL4615773 assay format