Reaction Details Report a problem with these data
Target
Eosinophil peroxidase
Ligand
BDBM434844
Substrate
n/a
Meas. Tech.
EPX Bromination Assay
IC50
63.0±n/a nM
Citation
 Smallheer, JM; Kick, EK; Valente, MN; Hu, CH; Halpern, OS; Jusuf, S Macrocyclic inhibitors of myeloperoxidase US Patent  US10577383 Publication Date 3/3/2020 
Target
Name:
Eosinophil peroxidase
Synonyms:
EPER | EPO | EPP | EPX | PERE_HUMAN
Type:
Protein
Mol. Mass.:
81087.94
Organism:
Human
Description:
P11678
Residue:
715
Sequence:
MHLLPALAGVLATLVLAQPCEGTDPASPGAVETSVLRDCIAEAKLLVDAAYNWTQKSIKQRLRSGSASPMDLLSYFKQPVAATRTVVRAADYMHVALGLLEEKLQPQRSGPFNVTDVLTEPQLRLLSQASGCALRDQAERCSDKYRTITGRCNNKRRPLLGASNQALARWLPAEYEDGLSLPFGWTPSRRRNGFLLPLVRAVSNQIVRFPNERLTSDRGRALMFMQWGQFIDHDLDFSPESPARVAFTAGVDCERTCAQLPPCFPIKIPPNDPRIKNQRDCIPFFRSAPSCPQNKNRVRNQINALTSFVDASMVYGSEVSLSLRLRNRTNYLGLLAINQRFQDNGRALLPFDNLHDDPCLLTNRSARIPCFLAGDTRSTETPKLAAMHTLFMREHNRLATELRRLNPRWNGDKLYNEARKIMGAMVQIITYRDFLPLVLGKARARRTLGHYRGYCSNVDPRVANVFTLAFRFGHTMLQPFMFRLDSQYRASAPNSHVPLSSAFFASWRIVYEGGIDPILRGLMATPAKLNRQDAMLVDELRDRLFRQVRRIGLDLAALNMQRSRDHGLPGYNAWRRFCGLSQPRNLAQLSRVLKNQDLARKFLNLYGTPDNIDIWIGAIAEPLLPGARVGPLLACLFENQFRRARDGDRFWWQKRGVFTKRQRKALSRISLSRIICDNTGITTVSRDIFRANIYPRGFVNCSRIPRLNLSAWRGT
  
Inhibitor
Name:
BDBM434844
Synonyms:
7-{14′-Oxa-3′,4′,10′-triazaspiro[cyclopropane-1,12′-tricyclo[13.3.1.13,6]icosane]-1′(19′),4′,6′(20′),15′,17′-pentaen-7′-yl}-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine | US10577383, Example 20
Type:
Small organic molecule
Emp. Form.:
C23H26N8O
Mol. Mass.:
430.5055
SMILES:
Nc1cc([C@H]2CCNCC3(CC3)COc3cccc(Cn4cc2cn4)c3)c2nn[nH]c2n1 |r|
Structure:
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