Target
Eosinophil peroxidase
Ligand
BDBM50554034
Substrate
n/a
Meas. Tech.
ChEMBL_2048421 (CHEMBL4703120)
IC50
92±n/a nM
Citation
 Shaw, SAVokits, BPDilger, AKViet, AClark, CGAbell, LMLocke, GADuke, GKopcho, LMDongre, AGao, JKrishnakumar, AJusuf, SKhan, JSpronk, SABasso, MDZhao, LCantor, GHOnorato, JMWexler, RRDuclos, FKick, EK Discovery and structure activity relationships of 7-benzyl triazolopyridines as stable, selective, and reversible inhibitors of myeloperoxidase. Bioorg Med Chem 28:0 (2020) [PubMed]  Article 
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:
BDBM50554034
Synonyms:
CHEMBL4747269
Type:
Small organic molecule
Emp. Form.:
C29H28N6
Mol. Mass.:
460.5728
SMILES:
Nc1cc([C@H](CCN[C@H]2C[C@H](c3ccccc23)c2ccccc2)c2ccccc2)c2nn[nH]c2n1 |r|
Structure:
Search PDB for entries with ligand similarity: