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Target
Endoplasmic reticulum aminopeptidase 1
Ligand
BDBM50245400
Substrate
n/a
Meas. Tech.
ChEMBL_1674662 (CHEMBL4024805)
IC50
48±n/a nM
Citation
 Kokkala, P; Mpakali, A; Mauvais, FX; Papakyriakou, A; Daskalaki, I; Petropoulou, I; Kavvalou, S; Papathanasopoulou, M; Agrotis, S; Fonsou, TM; van Endert, P; Stratikos, E; Georgiadis, D Optimization and Structure-Activity Relationships of Phosphinic Pseudotripeptide Inhibitors of Aminopeptidases That Generate Antigenic Peptides. J Med Chem 59:9107-9123 (2016) [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:
BDBM50245400
Synonyms:
CHEMBL4099107
Type:
Small organic molecule
Emp. Form.:
C32H37N4O6P
Mol. Mass.:
604.6331
SMILES:
COc1ccc(cc1)-c1cc(C[C@H](CP(O)(=O)[C@@H](N)CCc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)on1 |r|
Structure:
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