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Target
Myeloperoxidase
Ligand
BDBM513900
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:
BDBM513900
Synonyms:
US11059818, Example 26
Type:
Small organic molecule
Emp. Form.:
C30H32F2N8
Mol. Mass.:
542.6255
SMILES:
Nc1cc(C(CCN[C@H]2CC[C@@H](CC2)c2ccccc2)c2cnn(Cc3cc(F)cc(F)c3)c2)c2nn[nH]c2n1 |r,wU:8.7,wD:11.14,(-3.55,-5.52,;-2.22,-4.75,;-2.22,-3.21,;-.88,-2.44,;-.88,-.9,;.45,-.13,;1.79,-.9,;3.12,-.13,;4.45,-.9,;5.79,-.13,;7.12,-.9,;7.12,-2.44,;5.79,-3.21,;4.45,-2.44,;8.45,-3.21,;8.45,-4.75,;9.79,-5.52,;11.12,-4.75,;11.12,-3.21,;9.79,-2.44,;-2.22,-.13,;-2.38,1.4,;-3.88,1.73,;-4.65,.39,;-6.18,.23,;-7.13,1.45,;-8.65,1.24,;-9.59,2.46,;-11.12,2.25,;-9.01,3.89,;-7.48,4.09,;-6.9,5.52,;-6.54,2.87,;-3.62,-.75,;.45,-3.21,;1.92,-2.73,;2.82,-3.98,;1.92,-5.22,;.45,-4.75,;-.88,-5.52,)|
Structure:
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