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Target
Myeloperoxidase
Ligand
BDBM513897
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:
BDBM513897
Synonyms:
US11059818, Example 23
Type:
Small organic molecule
Emp. Form.:
C28H36N8
Mol. Mass.:
484.639
SMILES:
Nc1cc(C(CCN[C@H]2CC[C@@H](CC2)c2ccccc2)c2cnn(c2)C2CCCC2)c2nn[nH]c2n1 |r,wU:8.7,wD:11.14,(-4.8,-3.62,;-3.47,-2.85,;-3.47,-1.31,;-2.13,-.54,;-2.13,1,;-.8,1.77,;.54,1,;1.87,1.77,;3.2,1,;4.54,1.77,;5.87,1,;5.87,-.54,;4.54,-1.31,;3.2,-.54,;7.2,-1.31,;7.2,-2.85,;8.54,-3.62,;9.87,-2.85,;9.87,-1.31,;8.54,-.54,;-3.47,1.77,;-3.63,3.3,;-5.13,3.62,;-5.9,2.29,;-4.87,1.14,;-7.43,2.13,;-8.46,3.27,;-9.87,2.64,;-9.71,1.11,;-8.2,.79,;-.8,-1.31,;.67,-.83,;1.57,-2.08,;.67,-3.33,;-.8,-2.85,;-2.13,-3.62,)|
Structure:
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