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Target
Myeloperoxidase
Ligand
BDBM513913
Substrate
n/a
Meas. Tech.
MPO Chlorination Assay (APF Assay)
IC50
50±n/a nM
Citation
 Smallheer, JM; Hu, CH; Valente, MN; Shaw, SA; Vokits, BP; Halpern, OS Triazolopyridine inhibitors of myeloperoxidase US Patent  US11059818 Publication Date 7/13/2021 
Target
Name:
Myeloperoxidase
Synonyms:
84 kDa myeloperoxidase | 89 kDa myeloperoxidase | MPO | Mpo protein | Myeloperoxidase | Myeloperoxidase (MPO) | Myeloperoxidase heavy chain | Myeloperoxidase light chain | PERM_HUMAN
Type:
Enzyme
Mol. Mass.:
83888.32
Organism:
Homo sapiens (Human)
Description:
P05164
Residue:
745
Sequence:
MGVPFFSSLRCMVDLGPCWAGGLTAEMKLLLALAGLLAILATPQPSEGAAPAVLGEVDTSLVLSSMEEAKQLVDKAYKERRESIKQRLRSGSASPMELLSYFKQPVAATRTAVRAADYLHVALDLLERKLRSLWRRPFNVTDVLTPAQLNVLSKSSGCAYQDVGVTCPEQDKYRTITGMCNNRRSPTLGASNRAFVRWLPAEYEDGFSLPYGWTPGVKRNGFPVALARAVSNEIVRFPTDQLTPDQERSLMFMQWGQLLDHDLDFTPEPAARASFVTGVNCETSCVQQPPCFPLKIPPNDPRIKNQADCIPFFRSCPACPGSNITIRNQINALTSFVDASMVYGSEEPLARNLRNMSNQLGLLAVNQRFQDNGRALLPFDNLHDDPCLLTNRSARIPCFLAGDTRSSEMPELTSMHTLLLREHNRLATELKSLNPRWDGERLYQEARKIVGAMVQIITYRDYLPLVLGPTAMRKYLPTYRSYNDSVDPRIANVFTNAFRYGHTLIQPFMFRLDNRYQPMEPNPRVPLSRVFFASWRVVLEGGIDPILRGLMATPAKLNRQNQIAVDEIRERLFEQVMRIGLDLPALNMQRSRDHGLPGYNAWRRFCGLPQPETVGQLGTVLRNLKLARKLMEQYGTPNNIDIWMGGVSEPLKRKGRVGPLLACIIGTQFRKLRDGDRFWWENEGVFSMQQRQALAQISLPRIICDNTGITTVSKNNIFMSNSYPRDFVNCSTLPALNLASWREAS
  
Inhibitor
Name:
BDBM513913
Synonyms:
US11059818, Example 38
Type:
Small organic molecule
Emp. Form.:
C33H38N8O2
Mol. Mass.:
578.7072
SMILES:
Nc1cc(C(CCNC23CCC(CC2)([C@H](O)C3)c2ccccc2)c2ccn(CCc3cccc(O)c3)n2)c2nn[nH]c2n1 |r,wD:14.15,(-1.84,-8.47,;-.5,-7.7,;-.5,-6.16,;.83,-5.39,;.83,-3.85,;2.16,-3.08,;2.16,-1.54,;3.5,-.77,;3.5,.77,;2.16,1.54,;2.16,3.08,;3.5,3.85,;2.73,2.52,;4.27,2.1,;4.83,3.08,;6.16,3.85,;4.83,1.54,;3.5,5.39,;2.16,6.16,;2.16,7.7,;3.5,8.47,;4.83,7.7,;4.83,6.16,;-.5,-3.08,;-1.91,-3.71,;-2.94,-2.56,;-2.17,-1.23,;-2.8,.18,;-1.89,1.42,;-2.52,2.83,;-1.61,4.08,;-2.24,5.48,;-3.77,5.64,;-4.68,4.4,;-6.16,4.8,;-4.05,2.99,;-.66,-1.55,;2.16,-6.16,;3.63,-5.68,;4.53,-6.93,;3.63,-8.18,;2.16,-7.7,;.83,-8.47,)|
Structure:
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