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Target
Replicase polyprotein 1ab [3264-3569]
Ligand
BDBM420283
Substrate
n/a
Meas. Tech.
Determination of inhibition of SARS-CoV-2 Mproby 11r, 13a,and 13b
IC50
180±20 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:
BDBM420283
Synonyms:
alpha-ketoamide inhibitor 11r | med.21724, Compound 64
Type:
Small organic molecule
Emp. Form.:
C33H40N4O5
Mol. Mass.:
572.6945
SMILES:
O=C(N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)C(=O)NCc1ccccc1)\C=C\c1ccccc1
Structure:
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