Reaction Details |
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Target | Myeloperoxidase |
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Ligand | BDBM312265 |
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Substrate/Competitor | n/a |
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Meas. Tech. | Inhibitory Activity |
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IC50 | 49.0±n/a nM |
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Citation | Inghardt, TB; Johannesson, P; Jurva, U; Lindstedt-Alstermark, E; Tomkinson, N; Stonehouse, JP 1-[2-(aminomethyl)benzyl]-2-thioxo-1,2,3,5-tetrahydro-4H-pyrrolo[3,2-d]pyrimidin-4-ones as inhibitors of myeloperoxidase US Patent US9616063 Publication Date 4/11/2017 |
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More Info.: | Get all data from this article, Assay Method |
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Myeloperoxidase |
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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: | MGVPFFSSLRCMVDLGPCWAGGLTAEMKLLLALAGLLAILATPQPSEGAAPAVLGEVDTS
LVLSSMEEAKQLVDKAYKERRESIKQRLRSGSASPMELLSYFKQPVAATRTAVRAADYLH
VALDLLERKLRSLWRRPFNVTDVLTPAQLNVLSKSSGCAYQDVGVTCPEQDKYRTITGMC
NNRRSPTLGASNRAFVRWLPAEYEDGFSLPYGWTPGVKRNGFPVALARAVSNEIVRFPTD
QLTPDQERSLMFMQWGQLLDHDLDFTPEPAARASFVTGVNCETSCVQQPPCFPLKIPPND
PRIKNQADCIPFFRSCPACPGSNITIRNQINALTSFVDASMVYGSEEPLARNLRNMSNQL
GLLAVNQRFQDNGRALLPFDNLHDDPCLLTNRSARIPCFLAGDTRSSEMPELTSMHTLLL
REHNRLATELKSLNPRWDGERLYQEARKIVGAMVQIITYRDYLPLVLGPTAMRKYLPTYR
SYNDSVDPRIANVFTNAFRYGHTLIQPFMFRLDNRYQPMEPNPRVPLSRVFFASWRVVLE
GGIDPILRGLMATPAKLNRQNQIAVDEIRERLFEQVMRIGLDLPALNMQRSRDHGLPGYN
AWRRFCGLPQPETVGQLGTVLRNLKLARKLMEQYGTPNNIDIWMGGVSEPLKRKGRVGPL
LACIIGTQFRKLRDGDRFWWENEGVFSMQQRQALAQISLPRIICDNTGITTVSKNNIFMS
NSYPRDFVNCSTLPALNLASWREAS
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BDBM312265 |
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n/a |
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Name | BDBM312265 |
Synonyms: | 1-{2-[(Methylamino)methyl]-4-(trifluoromethyl)benzyl}-2-thioxo-1,2,3,5-tetrahydro-4H-pyrrolo[3,2-d]pyrimidin-4-one | US10016430, Example 15 | US11000525, Example 15 | US9616063, 15 |
Type | Small organic molecule |
Emp. Form. | C16H15F3N4OS |
Mol. Mass. | 368.377 |
SMILES | CNCc1cc(ccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S)C(F)(F)F |$;HN;;;;;;;;;;;;;HN;;;;;;;;;;$| |
Structure |
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