Reaction Details  Report a problem with these data
Target
Endoplasmic reticulum aminopeptidase 1 (ERAP1)
Ligand
BDBM661093
Substrate
n/a
Meas. Tech.
In Vitro ERAP Activity Assay
IC50
<500±n/a nM
Citation
 POULAIN, RD; GEALAGEAS, R; CAMBERLEIN, V; FLEAU, CT; GUILLAUME, V; BOSC, D; DEPREZ, B; SIEROCKI, P ERAP INHIBITORS US Patent  US20240101542 Publication Date 3/28/2024
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:
BDBM661093
Synonyms:
(2S)-3-(3-chloro-4-hydroxy-phenyl)-2-[4-[[[5-(2-pyridyl)-2-thienyl]sulfonylamino]methyl]triazol-1-yl]propanehydroxamic acid | US20240101542, Compound 39
Type:
Small organic molecule
Emp. Form.:
C21H19ClN6O5S2
Mol. Mass.:
534.996
SMILES:
ONC(=O)[C@H](Cc1ccc(O)c(Cl)c1)n1cc(CNS(=O)(=O)c2ccc(s2)-c2ccccn2)nn1 |r|
Structure:
Search PDB for entries with ligand similarity: