Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetMyeloperoxidase
LigandBDBM50554035
Substrate/Competitorn/a
Meas. Tech.ChEMBL_2048419 (CHEMBL4703118)
IC50 1.4±n/a nM
Citation Shaw, SAVokits, BPDilger, AKViet, AClark, CGAbell, LMLocke, GADuke, GKopcho, LMDongre, AGao, JKrishnakumar, AJusuf, SKhan, JSpronk, SABasso, MDZhao, LCantor, GHOnorato, JMWexler, RRDuclos, FKick, EK Discovery and structure activity relationships of 7-benzyl triazolopyridines as stable, selective, and reversible inhibitors of myeloperoxidase. Bioorg Med Chem28:0 (2020) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Myeloperoxidase
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:
MGVPFFSSLRCMVDLGPCWAGGLTAEMKLLLALAGLLAILATPQPSEGAAPAVLGEVDTS
LVLSSMEEAKQLVDKAYKERRESIKQRLRSGSASPMELLSYFKQPVAATRTAVRAADYLH
VALDLLERKLRSLWRRPFNVTDVLTPAQLNVLSKSSGCAYQDVGVTCPEQDKYRTITGMC
NNRRSPTLGASNRAFVRWLPAEYEDGFSLPYGWTPGVKRNGFPVALARAVSNEIVRFPTD
QLTPDQERSLMFMQWGQLLDHDLDFTPEPAARASFVTGVNCETSCVQQPPCFPLKIPPND
PRIKNQADCIPFFRSCPACPGSNITIRNQINALTSFVDASMVYGSEEPLARNLRNMSNQL
GLLAVNQRFQDNGRALLPFDNLHDDPCLLTNRSARIPCFLAGDTRSSEMPELTSMHTLLL
REHNRLATELKSLNPRWDGERLYQEARKIVGAMVQIITYRDYLPLVLGPTAMRKYLPTYR
SYNDSVDPRIANVFTNAFRYGHTLIQPFMFRLDNRYQPMEPNPRVPLSRVFFASWRVVLE
GGIDPILRGLMATPAKLNRQNQIAVDEIRERLFEQVMRIGLDLPALNMQRSRDHGLPGYN
AWRRFCGLPQPETVGQLGTVLRNLKLARKLMEQYGTPNNIDIWMGGVSEPLKRKGRVGPL
LACIIGTQFRKLRDGDRFWWENEGVFSMQQRQALAQISLPRIICDNTGITTVSKNNIFMS
NSYPRDFVNCSTLPALNLASWREAS
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50554035
n/a
NameBDBM50554035
Synonyms:CHEMBL4790231
TypeSmall organic molecule
Emp. Form.C28H32N6
Mol. Mass.452.5939
SMILESNc1cc([C@H](CCNC23CCC(CC2)(CC3)c2ccccc2)c2ccccc2)c2nn[nH]c2n1 |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: