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TargetMyeloperoxidase
LigandBDBM50432565
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1664234
IC50 18±n/a nM
Citation Soubhye, JChikh Alard, IAldib, IPrévost, MGelbcke, MDe Carvalho, AFurtmüller, PGObinger, CFlemmig, JTadrent, SMeyer, FRousseau, ANève, JMathieu, VZouaoui Boudjeltia, KDufrasne, FVan Antwerpen, P Discovery of Novel Potent Reversible and Irreversible Myeloperoxidase Inhibitors Using Virtual Screening Procedure. J Med Chem60:6563-6586 (2017) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Myeloperoxidase
Name:Myeloperoxidase
Synonyms:84 kDa myeloperoxidase | 89 kDa myeloperoxidase | MPO | Mpo protein | Myeloperoxidase | Myeloperoxidase heavy chain | Myeloperoxidase light chain
Type:Enzyme
Mol. Mass.:83888.32
Organism:Homo sapiens (Human)
Description:P05164
Residue:745
Sequence:
MGVPFFSSLRCMVDLGPCWAGGLTAEMKLLLALAGLLAILATPQPSEGAAPAVLGEVDTS
LVLSSMEEAKQLVDKAYKERRESIKQRLRSGSASPMELLSYFKQPVAATRTAVRAADYLH
VALDLLERKLRSLWRRPFNVTDVLTPAQLNVLSKSSGCAYQDVGVTCPEQDKYRTITGMC
NNRRSPTLGASNRAFVRWLPAEYEDGFSLPYGWTPGVKRNGFPVALARAVSNEIVRFPTD
QLTPDQERSLMFMQWGQLLDHDLDFTPEPAARASFVTGVNCETSCVQQPPCFPLKIPPND
PRIKNQADCIPFFRSCPACPGSNITIRNQINALTSFVDASMVYGSEEPLARNLRNMSNQL
GLLAVNQRFQDNGRALLPFDNLHDDPCLLTNRSARIPCFLAGDTRSSEMPELTSMHTLLL
REHNRLATELKSLNPRWDGERLYQEARKIVGAMVQIITYRDYLPLVLGPTAMRKYLPTYR
SYNDSVDPRIANVFTNAFRYGHTLIQPFMFRLDNRYQPMEPNPRVPLSRVFFASWRVVLE
GGIDPILRGLMATPAKLNRQNQIAVDEIRERLFEQVMRIGLDLPALNMQRSRDHGLPGYN
AWRRFCGLPQPETVGQLGTVLRNLKLARKLMEQYGTPNNIDIWMGGVSEPLKRKGRVGPL
LACIIGTQFRKLRDGDRFWWENEGVFSMQQRQALAQISLPRIICDNTGITTVSKNNIFMS
NSYPRDFVNCSTLPALNLASWREAS
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50432565
NameBDBM50432565
Synonyms:CHEMBL2347181
TypeSmall organic molecule
Emp. Form.C12H13FN2O
Mol. Mass.220.2428
SMILESNC(=O)CCCc1c[nH]c2ccc(F)cc12
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a