Reaction Details |
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Target | Myeloperoxidase (MPO) |
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Ligand | BDBM50133603 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1526125 |
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Ki | 372±n/a nM |
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Citation | Ruggeri RB; Buckbinder L; Bagley SW; Carpino PA; Conn EL; Dowling MS; Fernando DP; Jiao W; Kung DW; Orr ST; Qi Y; Rocke BN; Smith A; Warmus JS; Zhang Y; Bowles D; Widlicka DW; Eng H; Ryder T; Sharma R; Wolford A; Okerberg C; Walters K; Maurer TS; Zhang Y; Bonin PD; Spath SN; Xing G; Hepworth D; Ahn K; Kalgutkar AS Discovery of 2-(6-(5-Chloro-2-methoxyphenyl)-4-oxo-2-thioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamide (PF-06282999): A Highly Selective Mechanism-Based Myeloperoxidase Inhibitor for the Treatment of Cardiovascular Diseases. J Med Chem 58:8513-28 (2015) [PubMed] |
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More Info.: | Get all data from this article, Assay Method |
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Myeloperoxidase (MPO) |
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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
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BDBM50133603 |
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n/a |
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Name | BDBM50133603 |
Synonyms: | CHEMBL3633248 |
Type | Small organic molecule |
Emp. Form. | C14H15N3O4S |
Mol. Mass. | 321.352 |
SMILES | COc1ccc(c(OC)c1)-c1cc(=O)[nH]c(=S)n1CC(N)=O |
Structure |
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