Reaction Details Report a problem with these data
Target
Toxopain-2
Ligand
BDBM50271692
Substrate
n/a
Meas. Tech.
ChEMBL_1711555 (CHEMBL4121604)
IC50
1400±n/a nM
Citation
 Zwicker, JD; Diaz, NA; Guerra, AJ; Kirchhoff, PD; Wen, B; Sun, D; Carruthers, VB; Larsen, SD Optimization of dipeptidic inhibitors of cathepsin L for improved Toxoplasma gondii selectivity and CNS permeability. Bioorg Med Chem Lett 28:1972-1980 (2018) [PubMed]  Article 
Target
Name:
Toxopain-2
Synonyms:
CPL | Cathepsin L | Toxopain-2
Type:
PROTEIN
Mol. Mass.:
47549.50
Organism:
Toxoplasma gondii
Description:
ChEMBL_118107
Residue:
422
Sequence:
MDSSETHYVSFLNGEDDGLENGELHQRRGVRAGRPSPPFVVTTRTYFWKKFLRQRNFTARAWIALVAAAVSLLVFASFLIQWQGEDDRAVFPPSPVEDHQPPANIWEWKEAHFQDAFSSFQAMYAKSYATEEEKQRRYAIFKNNLVYIHTHNQQGYSYSLKMNHFGDLSRDEFRRKYLGFKKSRNLKSHHLGVATELLNVLPSELPAGVDWRSRGCVTPVKDQRDCGSCWAFSTTGALEGAHCAKTGKLVSLSEQELMDCSRAEGNQSCSGGEMNDAFQYVLDSGGICSEDAYPYLARDEECRAQSCEKVVKILGFKDVPRRSEAAMKAALAKSPVSIAIEADQMPFQFYHEGVFDASCGTDLDHGVLLVGYGTDKESKKDFWIMKNSWGTGWGRDGYMYMAMHKGEEGQCGLLLDASFPVM
  
Inhibitor
Name:
BDBM50271692
Synonyms:
CHEMBL4126611
Type:
Small organic molecule
Emp. Form.:
C19H16F3N3O3
Mol. Mass.:
391.3438
SMILES:
Oc1cccc(C[C@H](NC(=O)c2cccc(c2)C(F)(F)F)C(=O)NCC#N)c1 |r|
Structure:
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