BDBM700 (2R,3R,4R,5R)-3,4-dihydroxy-N,N'-bis[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,5-bis(thiophen-2-ylsulfanyl)hexanediamide::Diol-Based HIV-1 protease inhibitor 13::N1,N6-Di[(2R)-hydroxy-(1S)-indanyl]-(2R,3R,4R,5R)-3,4-dihydroxy-2,5-di(thiophen-3-ylsulfanyl)hexanediamide
SMILES: O[C@H]([C@@H](O)[C@@H](Sc1cccs1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)[C@@H](Sc1cccs1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12
InChI Key: InChIKey=FTARTHFTPFFKDG-NTZBCTBQSA-N
Data: 1 KI
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) | BDBM700 ((2R,3R,4R,5R)-3,4-dihydroxy-N,N'-bis[(1S,2R)-2-hyd...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 0.5 | -12.9 | n/a | n/a | n/a | n/a | n/a | 5.0 | 30 |
Stockholm 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: 3402-6 (2001) Article DOI: 10.1021/jm0011169 BindingDB Entry DOI: 10.7270/Q2R78CCC | |||||||||||
More data for this Ligand-Target Pair |