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Target
Myeloperoxidase
Ligand
BDBM513892
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:
BDBM513892
Synonyms:
US11059818, Example 18
Type:
Small organic molecule
Emp. Form.:
C30H34N8
Mol. Mass.:
506.6446
SMILES:
Nc1cc(C(CCN[C@H]2CC[C@@H](CC2)c2ccccc2)c2cnn(Cc3ccccc3)c2)c2nn[nH]c2n1 |r,wU:8.7,wD:11.14,(-4.31,-4.8,;-2.98,-4.03,;-2.98,-2.49,;-1.65,-1.72,;-1.65,-.18,;-.31,.59,;1.02,-.18,;2.36,.59,;3.69,-.18,;5.02,.59,;6.36,-.18,;6.36,-1.72,;5.02,-2.49,;3.69,-1.72,;7.69,-2.49,;7.69,-4.03,;9.02,-4.8,;10.36,-4.03,;10.36,-2.49,;9.02,-1.72,;-2.98,.59,;-3.14,2.12,;-4.65,2.44,;-5.42,1.1,;-6.95,.94,;-7.89,2.16,;-7.31,3.59,;-8.25,4.8,;-9.77,4.6,;-10.36,3.17,;-9.42,1.95,;-4.39,-.04,;-.31,-2.49,;1.15,-2.02,;2.06,-3.26,;1.15,-4.51,;-.31,-4.03,;-1.65,-4.8,)|
Structure:
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