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Target
Myeloperoxidase
Ligand
BDBM95711
Substrate
n/a
Meas. Tech.
ChEMBL_862123 (CHEMBL2174308)
IC50
12000±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:
BDBM95711
Synonyms:
1-(1H-benzimidazol-2-yl)-2-[(Z)-3-indolylidenemethyl]hydrazine | 1-(1H-benzimidazol-2-yl)-2-[(Z)-indol-3-ylidenemethyl]diazane | 1-(1H-benzimidazol-2-yl)-2-[(Z)-indol-3-ylidenemethyl]hydrazine | CHEMBL2002487 | MLS000561797 | N-(1H-Benzoimidazol-2-yl)-N'-(1H-indol-3-ylmethylene)-hydrazine | SMR000176565 | cid_5722712
Type:
Small organic molecule
Emp. Form.:
C16H13N5
Mol. Mass.:
275.3079
SMILES:
C(N=Nc1nc2ccccc2[nH]1)c1c[nH]c2ccccc12 |w:2.2|
Structure:
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