| Reaction Details |
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 | Report a problem with these data |
| Target | Myeloperoxidase |
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| Ligand | BDBM312261 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2217367 (CHEMBL5130499) |
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| IC50 | 31±n/a nM |
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| Citation |  Inghardt, T; Antonsson, T; Ericsson, C; Hovdal, D; Johannesson, P; Johansson, C; Jurva, U; Kajanus, J; Kull, B; Michaëlsson, E; Pettersen, A; Sjögren, T; Sörensen, H; Westerlund, K; Lindstedt, EL Discovery of AZD4831, a Mechanism-Based Irreversible Inhibitor of Myeloperoxidase, As a Potential Treatment for Heart Failure with Preserved Ejection Fraction. J Med Chem65:11485-11496 (2022) [PubMed] Article |
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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 |
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| Synonyms: | 84 kDa myeloperoxidase | 89 kDa myeloperoxidase | MPO | Mpo protein | Myeloperoxidase | Myeloperoxidase (MPO) | Myeloperoxidase heavy chain | Myeloperoxidase light chain | PERM_HUMAN |
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| Type: | Enzyme |
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| Mol. Mass.: | 83888.32 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P05164 |
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| Residue: | 745 |
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| Sequence: | MGVPFFSSLRCMVDLGPCWAGGLTAEMKLLLALAGLLAILATPQPSEGAAPAVLGEVDTS
LVLSSMEEAKQLVDKAYKERRESIKQRLRSGSASPMELLSYFKQPVAATRTAVRAADYLH
VALDLLERKLRSLWRRPFNVTDVLTPAQLNVLSKSSGCAYQDVGVTCPEQDKYRTITGMC
NNRRSPTLGASNRAFVRWLPAEYEDGFSLPYGWTPGVKRNGFPVALARAVSNEIVRFPTD
QLTPDQERSLMFMQWGQLLDHDLDFTPEPAARASFVTGVNCETSCVQQPPCFPLKIPPND
PRIKNQADCIPFFRSCPACPGSNITIRNQINALTSFVDASMVYGSEEPLARNLRNMSNQL
GLLAVNQRFQDNGRALLPFDNLHDDPCLLTNRSARIPCFLAGDTRSSEMPELTSMHTLLL
REHNRLATELKSLNPRWDGERLYQEARKIVGAMVQIITYRDYLPLVLGPTAMRKYLPTYR
SYNDSVDPRIANVFTNAFRYGHTLIQPFMFRLDNRYQPMEPNPRVPLSRVFFASWRVVLE
GGIDPILRGLMATPAKLNRQNQIAVDEIRERLFEQVMRIGLDLPALNMQRSRDHGLPGYN
AWRRFCGLPQPETVGQLGTVLRNLKLARKLMEQYGTPNNIDIWMGGVSEPLKRKGRVGPL
LACIIGTQFRKLRDGDRFWWENEGVFSMQQRQALAQISLPRIICDNTGITTVSKNNIFMS
NSYPRDFVNCSTLPALNLASWREAS
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| BDBM312261 |
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| n/a |
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| Name | BDBM312261 |
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| Synonyms: | 1-{2-[(Propan-2-ylamino)methyl]benzyl}-2-thioxo-1,2,3,5-tetrahydro-4H-pyrrolo[3,2-d]pyrimidin-4-one | US10016430, Example 13 | US11000525, Example 13 | US9616063, 13 |
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| Type | Small organic molecule |
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| Emp. Form. | C17H20N4OS |
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| Mol. Mass. | 328.432 |
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| SMILES | CC(C)NCc1ccccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S |$;;;HN;;;;;;;;;;;;;HN;;;;;;$| |
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| Structure | 
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