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Q9NZ08 | ERAP1_HUMAN | Endoplasmic reticulum aminopeptidase 1 (ERAP1)

3D structures mapped by conservation among orthologs

[ Domain: "ARM repeat" // ERAP1_C_1 ]

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[ Domain: "ARM repeat" // EUF08227 ]

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[ Domain: "Immunoglobulin/Fibronectin type III/E set domains/PapD-like" // ERAP1_C_2 ]

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[ Domain: "Immunoglobulin/Fibronectin type III/E set domains/PapD-like" // ERAP1_C ]

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[ Domain: "Immunoglobulin/Fibronectin type III/E set domains/PapD-like" // KOG1046 ]

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[ Domain: "Metalloproteases ("zincins") catalytic domain" // Peptidase_M1 ]

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[ Domain: "Baculovirus p35 protein-related" // Peptidase_M1_2 ]

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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
CHEMBL4095882 OBDepict HO N O H N H O P O OH H NH 2 H O NH 2 IC50 = 33.0 nM 590.62 NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cc(-c2ccc(O)cc2)no1)CP(=O)(O)[C@@H](N)CCc1ccccc1 Homo sapiens CHEMBL4024805 cell-based format
CHEMBL3416733 OBDepict H 3 C H 3 C H HN O P O OH H NH 2 H O NH 2 N H IC50 = 33.0 nM 512.59 CC(C)C[C@H](CP(=O)(O)[C@@H](N)CCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O Homo sapiens CHEMBL3418219 cell-based format
CHEMBL4862557 OBDepict Cl O HN O F O HO IC50 = 34.0 nM 415.85 O=C(NC1(C(=O)O)CCCCC1)c1cc(F)cc2cc(-c3ccc(Cl)cc3)oc12 Homo sapiens CHEMBL4824855 single protein format
CHEMBL4101200 OBDepict CH H NH O P O OH H NH 2 H O NH 2 IC50 = 43.0 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 CHEMBL4024805 cell-based format
CHEMBL4077855 OBDepict OH N O H N H O P O OH H NH 2 H O NH 2 IC50 = 65.0 nM 590.62 NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cc(-c2ccccc2O)no1)CP(=O)(O)[C@@H](N)CCc1ccccc1 Homo sapiens CHEMBL4024805 cell-based format
CHEMBL4863142 OBDepict F O NH O O OH Cl IC50 = 99.0 nM 401.82 O=C(NC1(C(=O)O)CCCC1)c1cc(F)cc2cc(-c3ccc(Cl)cc3)oc12 Homo sapiens CHEMBL4824855 single protein format
CHEMBL4875461 OBDepict F O NH O O OH Cl IC50 = 115.0 nM 449.87 O=C(NC1(C(=O)O)Cc2ccccc2C1)c1cc(F)cc2cc(-c3ccc(Cl)cc3)oc12 Homo sapiens CHEMBL4824855 single protein format
CHEMBL4864508 OBDepict Cl O NH O O OH IC50 = 120.0 nM 397.86 O=C(NC1(C(=O)O)CCCCC1)c1cccc2cc(-c3ccc(Cl)cc3)oc12 Homo sapiens CHEMBL4824855 single protein format
CHEMBL4069425 OBDepict O N H H P H O OH O O NH 2 NH 2 H N IC50 = 126.0 nM 574.62 NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cc(-c2ccccc2)no1)CP(=O)(O)[C@@H](N)CCc1ccccc1 Homo sapiens CHEMBL4024805 cell-based format
CHEMBL4854733 OBDepict H 3 C O O N H H O H N P H O OH H 3 C CH 3 NH 2 H IC50 = 140.0 nM 527.6 COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CP(=O)(O)[C@@H](N)CCc1ccccc1 Homo sapiens CHEMBL4822042 single protein format
CHEMBL4855038 OBDepict Cl O Br HN O O HO IC50 = 151.0 nM 476.75 O=C(NC1(C(=O)O)CCCCC1)c1cccc2c(Br)c(-c3ccc(Cl)cc3)oc12 Homo sapiens CHEMBL4824855 single protein format
CHEMBL4099693 OBDepict CH 3 H 3 C H NH O P O OH H NH 2 H O H 2 N IC50 = 155.0 nM 473.55 CC(C)C[C@H](CP(=O)(O)[C@@H](N)CCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Homo sapiens CHEMBL4024805 cell-based format
CHEMBL4854530 OBDepict OH O N H H O O F Cl IC50 = 262.0 nM 437.85 O=C(N[C@H](Cc1ccccc1)C(=O)O)c1cc(F)cc2cc(-c3ccc(Cl)cc3)oc12 Homo sapiens CHEMBL4824855 single protein format
CHEMBL4847534 OBDepict Cl O N H O F CH 3 CH 3 N N N H N IC50 = 275.0 nM 399.81 CC(C)(NC(=O)c1cc(F)cc2cc(-c3ccc(Cl)cc3)oc12)c1nnn[nH]1 Homo sapiens CHEMBL4824855 single protein format
CHEMBL4853049 OBDepict CH 3 H 3 C H N H O P O OH H 2 N H N H IC50 = 330.0 nM 469.57 CC(C)C[C@H](CP(=O)(O)[C@@H](N)CCc1ccccc1)C(=O)NCCc1c[nH]c2ccccc12 Homo sapiens CHEMBL4822042 single protein format
CHEMBL4097268 OBDepict CH 3 H 3 C H NH O P O OH H NH 2 H O H 2 N HO IC50 = 340.0 nM 489.55 CC(C)C[C@H](CP(=O)(O)[C@@H](N)CCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O Homo sapiens CHEMBL4024805 cell-based format
CHEMBL4850551 OBDepict CH 3 N H CH 3 O OH O O F Cl IC50 = 377.0 nM 389.81 CCC(C)(NC(=O)c1cc(F)cc2cc(-c3ccc(Cl)cc3)oc12)C(=O)O Homo sapiens CHEMBL4824855 single protein format
CHEMBL4877339 OBDepict H 3 C H 3 C H HN O P O OH H NH 2 H O OH N H IC50 = 410.0 nM 513.58 CC(C)C[C@H](CP(=O)(O)[C@@H](N)CCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O Homo sapiens CHEMBL4822042 single protein format
CHEMBL3827468 OBDepict CH 3 CH 3 H O H 2 N P O OH NH 2 H IC50 = 520.0 nM 326.38 CC(C)C[C@H](CP(=O)(O)[C@@H](N)CCc1ccccc1)C(N)=O Homo sapiens CHEMBL3829450 single protein format
CHEMBL3355101 OBDepict OH O P O HO NH 2 + N O _ O Ki = 530.0 nM 406.38 NC(CCc1ccc([N+](=O)[O-])cc1)P(=O)(O)CC(Cc1ccccc1)C(=O)O Homo sapiens CHEMBL3829452 single protein format
CHEMBL4081682 OBDepict CH 3 CH 3 H NH O P O OH H NH 2 H O NH 2 H 3 C H 3 C IC50 = 682.0 nM 439.54 CC(C)C[C@H](CP(=O)(O)[C@@H](N)CCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O Homo sapiens CHEMBL4024805 cell-based format
CHEMBL4854083 OBDepict F O N H O CH 3 H 3 C O OH Cl IC50 = 698.0 nM 375.78 CC(C)(NC(=O)c1cc(F)cc2cc(-c3ccc(Cl)cc3)oc12)C(=O)O Homo sapiens CHEMBL4824855 single protein format
CHEMBL4074464 OBDepict O N H H P H O OH O H 2 N NH 2 H IC50 = 726.0 nM 565.69 NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC12CC3CC(CC(C3)C1)C2)CP(=O)(O)[C@@H](N)CCc1ccccc1 Homo sapiens CHEMBL4024805 cell-based format
CHEMBL3416720 OBDepict HO H 2 N H N H O NH 2 N H O H O OH N H IC50 = 800.0 nM 515.57 Nc1cc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)ccc1NC(=O)[C@@H](N)CCc1ccc(O)cc1 Homo sapiens CHEMBL3418219 cell-based format
CHEMBL3416692 OBDepict CH 3 NH 2 H N H O H 2 N HN O H O O N H IC50 = 920.0 nM 541.65 CCCC[C@H](N)C(=O)Nc1cc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)OCc2ccccc2)ccc1N Homo sapiens CHEMBL3418219 cell-based format
CHEMBL4089555 OBDepict H 3 C H 3 C H N O P O OH H NH 2 H O NH 2 IC50 = 949.0 nM 423.49 CC(C)C[C@H](CP(=O)(O)[C@@H](N)CCc1ccccc1)C(=O)N1CCC[C@H]1C(N)=O Homo sapiens CHEMBL4024805 cell-based format
CHEMBL3355104 OBDepict HO P NH 2 O OH O HO Ki = 991.0 nM 391.4 NC(CCc1ccc(CO)cc1)P(=O)(O)CC(Cc1ccccc1)C(=O)O Homo sapiens CHEMBL3829452 single protein format
CHEMBL2140832 OBDepict H 3 C O S NH O O N F F F O OH IC50 = 1000.0 nM 458.46 COc1ccc(C(=O)O)cc1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 Homo sapiens CHEMBL4380179 cell-based format