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Target
Endoplasmic reticulum aminopeptidase 1
Ligand
BDBM50571867
Substrate
n/a
Meas. Tech.
ChEMBL_2115914 (CHEMBL4824855)
IC50
115±n/a nM
Citation
 Deddouche-Grass, S; Andouche, C; Bärenz, F; Halter, C; Hohwald, A; Lebrun, L; Membré, N; Morales, R; Muzet, N; Poirot, M; Reynaud, M; Roujean, V; Weber, F; Zimmermann, A; Heng, R; Basse, N Discovery and Optimization of a Series of Benzofuran Selective ERAP1 Inhibitors: Biochemical and  ACS Med Chem Lett 12:1137-1142 (2021) [PubMed]  Article 
Target
Name:
Endoplasmic reticulum aminopeptidase 1
Synonyms:
APPILS | ARTS1 | Aminopeptidase | ERAP1 | ERAP1_HUMAN | KIAA0525
Type:
PROTEIN
Mol. Mass.:
107232.03
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1473167
Residue:
941
Sequence:
MVFLPLKWSLATMSFLLSSLLALLTVSTPSWCQSTEASPKRSDGTPFPWNKIRLPEYVIPVHYDLLIHANLTTLTFWGTTKVEITASQPTSTIILHSHHLQISRATLRKGAGERLSEEPLQVLEHPRQEQIALLAPEPLLVGLPYTVVIHYAGNLSETFHGFYKSTYRTKEGELRILASTQFEPTAARMAFPCFDEPAFKASFSIKIRREPRHLAISNMPLVKSVTVAEGLIEDHFDVTVKMSTYLVAFIISDFESVSKITKSGVKVSVYAVPDKINQADYALDAAVTLLEFYEDYFSIPYPLPKQDLAAIPDFQSGAMENWGLTTYRESALLFDAEKSSASSKLGITMTVAHELAHQWFGNLVTMEWWNDLWLNEGFAKFMEFVSVSVTHPELKVGDYFFGKCFDAMEVDALNSSHPVSTPVENPAQIREMFDDVSYDKGACILNMLREYLSADAFKSGIVQYLQKHSYKNTKNEDLWDSMASICPTDGVKGMDGFCSRSQHSSSSSHWHQEGVDVKTMMNTWTLQKGFPLITITVRGRNVHMKQEHYMKGSDGAPDTGYLWHVPLTFITSKSDMVHRFLLKTKTDVLILPEEVEWIKFNVGMNGYYIVHYEDDGWDSLTGLLKGTHTAVSSNDRASLINNAFQLVSIGKLSIEKALDLSLYLKHETEIMPVFQGLNELIPMYKLMEKRDMNEVETQFKAFLIRLLRDLIDKQTWTDEGSVSERMLRSQLLLLACVHNYQPCVQRAEGYFRKWKESNGNLSLPVDVTLAVFAVGAQSTEGWDFLYSKYQFSLSSTEKSQIEFALCRTQNKEKLQWLLDESFKGDKIKTQEFPQILTLIGRNPVGYPLAWQFLRKNWNKLVQKFELGSSSIAHMVMGTTNQFSTRTRLEEVKGFFSSLKENGSQLRCVQQTIETIEENIGWMDKNFDKIRVWLQSEKLERM
  
Inhibitor
Name:
BDBM50571867
Synonyms:
CHEMBL4875461
Type:
Small organic molecule
Emp. Form.:
C25H17ClFNO4
Mol. Mass.:
449.858
SMILES:
OC(=O)C1(Cc2ccccc2C1)NC(=O)c1cc(F)cc2cc(oc12)-c1ccc(Cl)cc1
Structure:
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