Reaction Details Report a problem with these data
Target
Genome polyprotein
Ligand
BDBM50112578
Substrate
n/a
Meas. Tech.
ChEMBL_158769 (CHEMBL772930)
Ki
100000±n/a nM
Citation
 St Hilaire, PM; Alves, LC; Herrera, F; Renil, M; Sanderson, SJ; Mottram, JC; Coombs, GH; Juliano, MA; Juliano, L; Arevalo, J; Meldal, M Solid-phase library synthesis, screening, and selection of tight-binding reduced peptide bond inhibitors of a recombinant Leishmania mexicana cysteine protease B. J Med Chem 45:1971-82 (2002) [PubMed]  Article 
Target
Name:
Genome polyprotein
Synonyms:
Human rhinovirus A protease | Human rhinovirus B 3A protease
Type:
PROTEIN
Mol. Mass.:
44361.04
Organism:
Human rhinovirus B
Description:
ChEMBL_158953
Residue:
401
Sequence:
AFRPCNVNTKIGNAKCCPFVCGKAVTFKDRSTCSTYNLSSSLHHILEEDKRRRQVVDVMSAIFQGPISLDAPPPPAIADLLQSVRTPRVIKYCQIIMGHPAECQVERDLNIANSIIAIIANIISIAGIIFVIYKLFCSLQGPYSGEPKPKTKVPERRVVAQGPEEEFGRSILKNNTCVITTGNGKFTGLGIHDRILIIPTHADPGREVQVNGVHTKVLDSYDLYNRDGVKLEITVIQLDRNEKFRDIRKYIPETEDDYPECNLALSANQDEPTIIKVGDVVSYGNILLSGNQTARMLKYNYPTKSGYCGGVLYKIGQILGIHVGGNGRDGFSAMLLRSYFTGQIKVNKHATECGLPDIQTIHTPSKTKLQPSVFYDVFPGSKEPAVLTDNDPRLEVNFKEA
  
Inhibitor
Name:
BDBM50112578
Synonyms:
2-(2-{2-[2-(6-Amino-2-{2-[2-(2-amino-3-methyl-pentanoylamino)-3-methyl-butyrylamino]-3-hydroxy-butyrylamino}-hexylamino)-propionylamino]-3-methyl-pentanoylamino}-3-cyclohexyl-propionylamino)-3-hydroxy-butyric acid | CHEMBL58016
Type:
Small organic molecule
Emp. Form.:
C43H81N9O10
Mol. Mass.:
884.1575
SMILES:
CC[C@H](C)[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)CN[C@@H](C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
Structure:
Search PDB for entries with ligand similarity: