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Target
Endoplasmic reticulum aminopeptidase 1
Ligand
BDBM50519957
Substrate
n/a
Meas. Tech.
ChEMBL_1878771 (CHEMBL4380165)
IC50
4300±n/a nM
Citation
 Maben, Z; Arya, R; Rane, D; An, WF; Metkar, S; Hickey, M; Bender, S; Ali, A; Nguyen, TT; Evnouchidou, I; Schilling, R; Stratikos, E; Golden, J; Stern, LJ Discovery of Selective Inhibitors of Endoplasmic Reticulum Aminopeptidase 1. J Med Chem 63:103-121 (2020) [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:
BDBM50519957
Synonyms:
CHEMBL4586487
Type:
Small organic molecule
Emp. Form.:
C20H28ClN5O2
Mol. Mass.:
405.922
SMILES:
CC(=O)N1CCN(CC1)C(=O)C1(CCCCC1)NC(=N)Nc1ccc(Cl)cc1
Structure:
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