null
SMILES: FC(F)c1cc(no1)C(=O)N[C@@H](CC12CC(C1)C2)C(=O)NN(C[C@@H]1CCNC1=O)C(=O)[C@H](F)Cl
InChI Key:
Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Replicase polyprotein 1ab (HCoV-OC43) | BDBM525251 (N-[(1S)-2-[2-[(2R)-2-chloro-2-fluoro-acetyl]-2-[[(...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | WIPO WO2022043374 | n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description For the HCoV-OC433CLpro assay, 2 μL of 0.02 μM recombinant HCoV-OC433CL protease were mixed with serial dilutions of each comp... | Citation and Details BindingDB Entry DOI: 10.7270/Q2SF30BV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Replicase polyprotein 1ab (2019-nCoV) | BDBM525251 (N-[(1S)-2-[2-[(2R)-2-chloro-2-fluoro-acetyl]-2-[[(...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | WIPO WO2022043374 | n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description For the SARS-CoV-2 3CLpro assay, 2 μL of 0.02 μM recombinant SARS-CoV-2 3CL protease were mixed with serial dilutions of each c... | Citation and Details BindingDB Entry DOI: 10.7270/Q2SF30BV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Replicase polyprotein 1ab (HCoV-229E) | BDBM525251 (N-[(1S)-2-[2-[(2R)-2-chloro-2-fluoro-acetyl]-2-[[(...) | PDB MMDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | WIPO WO2022043374 | n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description For the HCoV-229E 3CLpro assay, 2 μL of 0.02 μM recombinant HCoV-229E 3CL protease were mixed with serial dilutions of each com... | Citation and Details BindingDB Entry DOI: 10.7270/Q2SF30BV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...) | BDBM525251 (N-[(1S)-2-[2-[(2R)-2-chloro-2-fluoro-acetyl]-2-[[(...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | WIPO WO2022043374 | n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description For the SARS-CoV 3CLpro assay, 2 μL of 0.02 μM recombinant SARS-CoV 3CL protease were mixed with serial dilutions of each compo... | Citation and Details BindingDB Entry DOI: 10.7270/Q2SF30BV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Orf1a protein (MERS-CoV) | BDBM525251 (N-[(1S)-2-[2-[(2R)-2-chloro-2-fluoro-acetyl]-2-[[(...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | WIPO WO2022043374 | n/a | n/a | 94 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description For the MERS-CoV 3CLpro assay, 2 μL of 0.02 μM recombinant MERS-CoV 3CL protease were mixed with serial dilutions of each compo... | Citation and Details BindingDB Entry DOI: 10.7270/Q2SF30BV | |||||||||||
More data for this Ligand-Target Pair |