BDBM715 (4R)-N-tert-butyl-3-[(2S,3S)-3-[(2-ethyl-3-hydroxyphenyl)formamido]-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide::(R)-N-tert-Butyl-3-[(2S,3S)-3-(2-ethyl-3-hydroxybenzoyl)amino-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide::allophenylnorstatine deriv. 12
SMILES: CCc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)NC(C)(C)C
InChI Key: InChIKey=POTILZIEQCOPAG-OEMFJLHTSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
HIV-1 Protease (Human immunodeficiency virus type 1) | BDBM715![]() ((4R)-N-tert-butyl-3-[(2S,3S)-3-[(2-ethyl-3-hydroxy...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | Article PubMed | 2.24 | -12.3 | n/a | n/a | n/a | n/a | n/a | 6.0 | 37 |
Japan Energy Corporation | Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Substrates and cleavage fragments... | J Med Chem 42: 1789-802 (1999) Article DOI: 10.1021/jm980637h BindingDB Entry DOI: 10.7270/Q2MG7MP3 | |||||||||||
More data for this Ligand-Target Pair |