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Target
Myeloperoxidase
Ligand
BDBM30853
Substrate
n/a
Meas. Tech.
ChEMBL_862117 (CHEMBL2174302)
IC50
790±n/a nM
Citation
 Aldib, I; Soubhye, J; Zouaoui Boudjeltia, K; Vanhaeverbeek, M; Rousseau, A; Furtmüller, PG; Obinger, C; Dufrasne, F; Nève, J; Van Antwerpen, P; Prévost, M Evaluation of new scaffolds of myeloperoxidase inhibitors by rational design combined with high-throughput virtual screening. J Med Chem 55:7208-18 (2012) [PubMed]  Article 
Target
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:
MGVPFFSSLRCMVDLGPCWAGGLTAEMKLLLALAGLLAILATPQPSEGAAPAVLGEVDTSLVLSSMEEAKQLVDKAYKERRESIKQRLRSGSASPMELLSYFKQPVAATRTAVRAADYLHVALDLLERKLRSLWRRPFNVTDVLTPAQLNVLSKSSGCAYQDVGVTCPEQDKYRTITGMCNNRRSPTLGASNRAFVRWLPAEYEDGFSLPYGWTPGVKRNGFPVALARAVSNEIVRFPTDQLTPDQERSLMFMQWGQLLDHDLDFTPEPAARASFVTGVNCETSCVQQPPCFPLKIPPNDPRIKNQADCIPFFRSCPACPGSNITIRNQINALTSFVDASMVYGSEEPLARNLRNMSNQLGLLAVNQRFQDNGRALLPFDNLHDDPCLLTNRSARIPCFLAGDTRSSEMPELTSMHTLLLREHNRLATELKSLNPRWDGERLYQEARKIVGAMVQIITYRDYLPLVLGPTAMRKYLPTYRSYNDSVDPRIANVFTNAFRYGHTLIQPFMFRLDNRYQPMEPNPRVPLSRVFFASWRVVLEGGIDPILRGLMATPAKLNRQNQIAVDEIRERLFEQVMRIGLDLPALNMQRSRDHGLPGYNAWRRFCGLPQPETVGQLGTVLRNLKLARKLMEQYGTPNNIDIWMGGVSEPLKRKGRVGPLLACIIGTQFRKLRDGDRFWWENEGVFSMQQRQALAQISLPRIICDNTGITTVSKNNIFMSNSYPRDFVNCSTLPALNLASWREAS
  
Inhibitor
Name:
BDBM30853
Synonyms:
2-(5-fluoranyl-1H-indol-3-yl)ethanamine;hydrochloride | 2-(5-fluoro-1H-indol-3-yl)ethanamine;hydrochloride | 2-(5-fluoro-1H-indol-3-yl)ethylamine;hydrochloride | 5-F-T | CHEMBL275628 | MLS000047815 | SMR000033820 | cid_197774
Type:
Small organic molecule
Emp. Form.:
C10H11FN2
Mol. Mass.:
178.2061
SMILES:
NCCc1c[nH]c2ccc(F)cc12
Structure:
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