BDBM11237 (2S)-N-[(1S)-1-{[(1S)-1-[(2-chloro-4-nitrophenyl)carbamoyl]-2-phenylethyl]carbamoyl}-2-phenylethyl]-3-methyl-2-[(5-methyl-1,2-oxazol-3-yl)formamido]butanamide::Anilide Inhibitor 3o::N-[(5-methylisoxazol-3-yl)carbonyl]-L-valyl-L-phenylalanyl-N-(2-chloro-4-nitrophenyl)-L-phenylalaninamide
SMILES: CC(C)C(NC(=O)c1cc(C)[o+][n-]1)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)Nc1ccc(cc1Cl)[N+]([O-])=O
InChI Key: InChIKey=SHBMVTFCFMSMCY-UHFFFAOYSA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
3C-like proteinase (3CL-PRO) (Human SARS coronavirus (SARS-CoV) (Severe acute re...) | BDBM11237 ((2S)-N-[(1S)-1-{[(1S)-1-[(2-chloro-4-nitrophenyl)c...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 2.90E+3 | -7.55 | 7.00E+3 | n/a | n/a | n/a | n/a | 7.0 | 25 |
National Taiwan University | Assay Description The effects of compound on enzyme activity were measured by using a fluorogenic peptide cleavage assay. Enhanced fluorescence caused by cleavage of t... | J Med Chem 48: 4469-73 (2005) Article DOI: 10.1021/jm050184y BindingDB Entry DOI: 10.7270/Q20K26S1 | |||||||||||
More data for this Ligand-Target Pair |