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Target
Myeloperoxidase
Ligand
BDBM48320
Substrate
n/a
Meas. Tech.
ChEMBL_1664239 (CHEMBL4013920)
IC50
>5000±n/a nM
Citation
 Soubhye, J; Chikh Alard, I; Aldib, I; Prévost, M; Gelbcke, M; De Carvalho, A; Furtmüller, PG; Obinger, C; Flemmig, J; Tadrent, S; Meyer, F; Rousseau, A; Nève, J; Mathieu, V; Zouaoui Boudjeltia, K; Dufrasne, F; Van Antwerpen, P Discovery of Novel Potent Reversible and Irreversible Myeloperoxidase Inhibitors Using Virtual Screening Procedure. J Med Chem 60:6563-6586 (2017) [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:
BDBM48320
Synonyms:
4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxy-benzamide;hydrochloride | 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide;hydrochloride | 4-azanyl-5-chloranyl-N-[2-(diethylamino)ethyl]-2-methoxy-benzamide;hydrochloride | METOCLOPRAMIDE | METOCLOPRAMIDE HYDROCHLORIDE | MLS000069667 | Metochloropramide | SMR000058471 | US11147820, Compound Metoclopramide | US11717500, Compound Metoclopramide | US9132134, Metoclopramide | cid_23659
Type:
Small organic molecule
Emp. Form.:
C14H22ClN3O2
Mol. Mass.:
299.796
SMILES:
CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC
Structure:
Search PDB for entries with ligand similarity: