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SMILES: C[C@@H](O)[C@@H]1NC(=O)[C@@H]2CSC(=N2)c2cc(C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC3CC3)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(N)=O)ccn2

InChI Key:

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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50567184   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Replicase polyprotein 1ab


(2019-nCoV)
BDBM50567184
PNG
(CHEMBL4873791)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@@H]2CSC(=N2)c2cc(C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC3CC3)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(N)=O)ccn2 |r,c:10|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of SARS CoV-2 main protease using DABCYL-KTSAVLQ1SGFRKM-E(EDANS)-NH2 as substrate by FRET based assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128333
BindingDB Entry DOI: 10.7270/Q29W0K7J
More data for this
Ligand-Target Pair