Reaction Details Report a problem with these data
Target
Myeloperoxidase
Ligand
BDBM434875
Substrate
n/a
Meas. Tech.
MPO Chlorination Assay (APF Assay)
IC50
5500±n/a nM
Citation
 Smallheer, JM; Kick, EK; Valente, MN; Hu, CH; Halpern, OS; Jusuf, S Macrocyclic inhibitors of myeloperoxidase US Patent  US10577383 Publication Date 3/3/2020 
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:
BDBM434875
Synonyms:
2-(7-{15-Amino-3H-[1,2,3]triazolo[4,5-b]pyridin-7-yl}-18-oxa-3,4,10-triazatetracyclo[17.3.1.13,6.113,17]pentacosa-1(23),4,6(25),13,15,17 | US10577383, Example 35
Type:
Small organic molecule
Emp. Form.:
C28H29N9O2
Mol. Mass.:
523.589
SMILES:
NC(=O)CN1CCC(c2cnn(Cc3cccc(Oc4cccc(CC1)c4)c3)c2)c1cc(N)nc2[nH]nnc12
Structure:
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