Reaction Details Report a problem with these data
Target
Replicase polyprotein 1ab [1541-1855]
Ligand
BDBM31524
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
2640±40 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:
BDBM31524
Synonyms:
5-amino-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide (I-1) | AKOS015840255 | GRL0617 | Naphthalene and Benzamide Derivative, 25 | SARS-CoV-2 PLpro Inhibitor, GRL0617 (1) | med.21724, Compound 159
Type:
Small organic molecule
Emp. Form.:
C20H20N2O
Mol. Mass.:
304.3856
SMILES:
C[C@@H](NC(=O)c1cc(N)ccc1C)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