Reaction Details Report a problem with these data
Target
Replicase polyprotein 1ab [1541-1855]
Ligand
BDBM31530
Substrate
SARS-CoV PLpro Substrate Peptide
Meas. Tech.
SARS-CoV PLpro Enzyme Inhibition Assay
pH
7.5±n/a
Temperature
296.15±n/a K
IC50
1300±100 nM
Citation
 Ghosh, AK; Takayama, J; Aubin, Y; Ratia, K; Chaudhuri, R; Baez, Y; Sleeman, K; Coughlin, M; Nichols, DB; Mulhearn, DC; Prabhakar, BS; Baker, SC; Johnson, ME; Mesecar, AD Structure-Based Design, Synthesis, and Biological Evaluation of a Series of Novel and Reversible Inhibitors for the Severe Acute Respiratory Syndrome-Coronavirus Papain-Like Protease. J Med Chem 52:5228-40 (2009) [PubMed]  Article 
Target
Name:
Replicase polyprotein 1ab [1541-1855]
Synonyms:
R1AB_SARS | SARS Coronavirus Coronavirus Papain-Like Protease | SARS-CoV PLpro | SARS-CoV papain-like protease (SARS-PLpro) | rep
Type:
Hydrolase
Mol. Mass.:
35352.30
Organism:
Human SARS coronavirus (SARS-CoV)
Description:
The SARS-CoV PLpro enzyme (residues 1541 -1855) was expressed and purified from E. coli.
Residue:
315
Sequence:
EVKTIKVFTTVDNTNLHTQLVDMSMTYGQQFGPTYLDGADVTKIKPHVNHEGKTFFVLPSDDTLRSEAFEYYHTLDESFLGRYMSALNHTKKWKFPQVGGLTSIKWADNNCYLSSVLLALQQLEVKFNAPALQEAYYRARAGDAANFCALILAYSNKTVGELGDVRETMTHLLQHANLESAKRVLNVVCKHCGQKTTTLTGVEAVMYMGTLSYDNLKTGVSIPCVCGRDATQYLVQQESSFVMMSAPPAEYKLQQGTFLCANEYTGNYQCGHYTHITAKETLYRIDGAHLTKMSEYKGPVTDVFYKETSYTTTIK
  
Inhibitor
Name:
BDBM31530
Synonyms:
2-methyl-5-[(methylamino)methyl]-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide (I-2) | Substituted Benzamide Derivative, 49 | med.21724, Compound 164
Type:
Small organic molecule
Emp. Form.:
C22H24N2O
Mol. Mass.:
332.4388
SMILES:
CNCc1ccc(C)c(c1)C(=O)N[C@H](C)c1cccc2ccccc12 |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
SARS-CoV PLpro Substrate Peptide
Synonyms:
Arg-Leu-Arg-Gly-Gly-AMC
Type:
Fluorogenic peptide
Mol. Mass.:
865.08
Organism:
n/a
Description:
n/a
Residue:
8
Sequence:
RLRGGAMC