Reaction Details Report a problem with these data
Target
Genome polyprotein
Ligand
BDBM50112594
Substrate
n/a
Meas. Tech.
ChEMBL_158769 (CHEMBL772930)
Ki
1100±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:
BDBM50112594
Synonyms:
CHEMBL266692 | ChaALF(CH2NH)YMYY
Type:
Small organic molecule
Emp. Form.:
C59H80N8O11S
Mol. Mass.:
1109.379
SMILES:
CSCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H](N)CC1CCCCC1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Structure:
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