BDBM12219 (2R,3R,4R,5R)-2,5-bis(benzyloxy)-N-[(2-chloro-6-fluorophenyl)methyl]-3,4-dihydroxy-N'-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]hexanediamide::symmetric/asymmetric inhibitor 6
SMILES: O[C@H]([C@@H](O)[C@@H](OCc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)[C@@H](OCc1ccccc1)C(=O)NCc1c(F)cccc1Cl
InChI Key: InChIKey=BVPTXJDSYPTXMO-VQEIZDKSSA-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 |
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HIV-1 Protease (Human immunodeficiency virus type 1) | BDBM12219 ((2R,3R,4R,5R)-2,5-bis(benzyloxy)-N-[(2-chloro-6-fl...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | 4.40 | -11.6 | n/a | n/a | n/a | n/a | n/a | 5.0 | 30 |
Uppsala 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... | Eur J Biochem 270: 1746-58 (2003) Article DOI: 10.1046/j.1432-1033.2003.03533.x BindingDB Entry DOI: 10.7270/Q2NZ85WX | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |