BDBM11239 (2S)-N-[(1S)-1-{[(1S,2S)-1-{[(1S)-1-[(2-chloro-4-nitrophenyl)carbamoyl]-2-phenylethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}-2-phenylethyl]-3-methyl-2-[(5-methyl-1,2-oxazol-3-yl)formamido]butanamide::Anilide Inhibitor 4j::N-[(5-methylisoxazol-3-yl)carbonyl]-L-valyl-L-phenylalanyl-L-threonyl-N-(2-chloro-4-nitrophenyl)-L-phenylalaninamide

SMILES CC(C)[C@H](NC(=O)c1cc(C)on1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(cc1Cl)[N+]([O-])=O

InChI Key InChIKey=GGJACBVAQGGMCL-UHFFFAOYSA-N

Data  1 KI  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 11239   

TargetReplicase polyprotein 1ab(SARS-CoV)
National Taiwan University

LigandPNGBDBM11239(N-[(5-methylisoxazol-3-yl)carbonyl]-L-valyl-L-phen...)
Affinity DataKi:  1.61E+3nM ΔG°:  -7.90kcal/mole IC50: 5.00E+3nMpH: 7.0 T: 2°CAssay Description:The effects of compound on enzyme activity were measured by using a fluorogenic peptide cleavage assay. Enhanced fluorescence caused by cleavage of t...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/26/2006
Entry Details Article
PubMed