BDBM350 (2R,3R,4R,5R)-2,5-bis[(3-fluorophenyl)methoxy]-3,4-dihydroxy-N,N'-bis[(1S)-2-methyl-1-(methylcarbamoyl)propyl]hexanediamide::1-Valine Methylamide deriv. 3::N1,N6-Bis-[(1S)-2-methyl-1-(methylcarbamoyl)propyl]-(2R,3R,4R,5R)-2,5-bis-(3-fluorobenzyloxy)-3,4-dihydroxyhexanediamide
SMILES: CNC(=O)[C@@H](NC(=O)[C@H](OCc1cccc(F)c1)[C@H](O)[C@@H](O)[C@@H](OCc1cccc(F)c1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C
InChI Key: InChIKey=WQFIXFLIBHKDSR-BQXGFVACSA-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) | BDBM350 ((2R,3R,4R,5R)-2,5-bis[(3-fluorophenyl)methoxy]-3,4...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 1.83 | -12.1 | n/a | n/a | n/a | n/a | n/a | 5.0 | 30 |
Linkoping University | Assay Description A fluorimetric assay was used to determine the effects of the inhibitors on HIV-1 protease. This assay used an internally quenched fluorescent peptid... | J Med Chem 44: 3083-91 (2001) Article DOI: 10.1021/jm001134q BindingDB Entry DOI: 10.7270/Q2DZ06GR | |||||||||||
More data for this Ligand-Target Pair |