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Target
Myeloperoxidase
Ligand
BDBM513893
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:
BDBM513893
Synonyms:
US11059818, Example 19
Type:
Small organic molecule
Emp. Form.:
C30H33ClN8
Mol. Mass.:
541.09
SMILES:
Nc1cc(C(CCN[C@H]2CC[C@@H](CC2)c2ccccc2)c2cnn(Cc3ccc(Cl)cc3)c2)c2nn[nH]c2n1 |r,wU:8.7,wD:11.14,(-4.13,-5.31,;-2.8,-4.54,;-2.8,-3,;-1.47,-2.23,;-1.47,-.69,;-.13,.08,;1.2,-.69,;2.53,.08,;3.87,-.69,;5.2,.08,;6.54,-.69,;6.54,-2.23,;5.2,-3,;3.87,-2.23,;7.87,-3,;7.87,-4.54,;9.2,-5.31,;10.54,-4.54,;10.54,-3,;9.2,-2.23,;-2.8,.08,;-2.96,1.61,;-4.47,1.93,;-5.24,.6,;-6.77,.44,;-7.71,1.66,;-7.13,3.08,;-8.07,4.3,;-9.6,4.09,;-10.54,5.31,;-10.18,2.67,;-9.24,1.45,;-4.21,-.55,;-.13,-3,;1.33,-2.52,;2.24,-3.77,;1.33,-5.02,;-.13,-4.54,;-1.47,-5.31,)|
Structure:
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