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Target
Replicase polyprotein 1ab [3264-3569]
Ligand
BDBM420295
Substrate
n/a
Meas. Tech.
Determination of inhibition of SARS-CoV-2 Mproby 11r, 13a,and 13b
IC50
670±180 nM
Citation
 Zhang, L; Lin, D; Sun, X; Curth, U; Drosten, C; Sauerhering, L; Becker, S; Rox, K; Hilgenfeld, R Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved ?-ketoamide inhibitors. Science 368:409-412 (2020) [PubMed]  Article 
Target
Name:
Replicase polyprotein 1ab [3264-3569]
Synonyms:
R1AB_SARS2 | Replicase polyprotein 1ab | rep
Type:
n/a
Mol. Mass.:
33795.80
Organism:
Severe acute respiratory syndrome coronavirus 2
Description:
P0DTD1[3264-3569]
Residue:
306
Sequence:
SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ
  
Inhibitor
Name:
BDBM420295
Synonyms:
alpha-ketoamide inhibitor 13b | med.21724, Compound 67
Type:
Small organic molecule
Emp. Form.:
C31H39N5O7
Mol. Mass.:
593.6707
SMILES:
CC(C)(C)OC(=O)Nc1cccn([C@@H](CC2CC2)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C(=O)C(=O)NCc2ccccc2)c1=O
Structure:
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