| Reaction Details |
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 | Report a problem with these data |
| Target | Myeloperoxidase |
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| Ligand | BDBM434866 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2103813 (CHEMBL4812316) |
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| IC50 | 5.0±n/a nM |
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| Citation |  Hu, CH; Neissel Valente, MW; Halpern, OS; Jusuf, S; Khan, JA; Locke, GA; Duke, GJ; Liu, X; Duclos, FJ; Wexler, RR; Kick, EK; Smallheer, JM Small molecule and macrocyclic pyrazole derived inhibitors of myeloperoxidase (MPO). Bioorg Med Chem Lett42:0 (2021) [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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| BDBM434866 |
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| n/a |
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| Name | BDBM434866 |
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| Synonyms: | 7-[(3R,4S,6S,10R)-4-Benzyl-2-oxa-7,13,14-triazatetracyclo[14.3.1.13,6.111,1 4 ]docosa-1(19),11(21),12,16(20),17-pentaen-10-yl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine | US10577383, Example 26 |
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| Type | Small organic molecule |
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| Emp. Form. | C30H32N8O |
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| Mol. Mass. | 520.6281 |
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| SMILES | Nc1cc([C@H]2CCN[C@H]3C[C@H](Cc4ccccc4)[C@@H](C3)Oc3cccc(Cn4cc2cn4)c3)c2nn[nH]c2n1 |r| |
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| Structure | 
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