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BDBM112662 (3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl ((2S,3R)-4-(N-(2-ethylbutyl)benzo[d][1,3]dioxole-5-sulfonamido)-3-hydroxy-1-phenylbutan-2-yl)carbamate (11d)
SMILES: CCC(CC)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)S(=O)(=O)c1ccc2OCOc2c1
InChI Key: InChIKey=ZLBAIBYBEYCDIE-KTJDEMTHSA-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 (Wt) (Human immunodeficiency virus) | BDBM112662 ((3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl ((2S,3...) | PDB MMDB B.MOAD GoogleScholar AffyNet  | PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 0.000800 | -16.5 | n/a | n/a | n/a | n/a | n/a | 4.7 | 25 |
University of Massachusetts Medical School, Worcester, MA 01605, USA | Assay Description The reaction mixture contained 2 µL of protease and 2 µL of inhibitor (or DMSO as a control) and was incubated for 20-30 min at room temper... | Chem Biol 20: 1116-24 (2013) Article DOI: 10.1016/j.chembiol.2013.07.014 BindingDB Entry DOI: 10.7270/Q2HQ3XKF | |||||||||||
| More data for this Ligand-Target Pair |  3D Structure (crystal) | ||||||||||||
| HIV-1 protease M3 (Human immunodeficiency virus) | BDBM112662 ((3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl ((2S,3...) | PDB MMDB B.MOAD GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | Article PubMed | 0.00600 | -15.3 | n/a | n/a | n/a | n/a | n/a | 4.7 | 25 |
University of Massachusetts Medical School, Worcester, MA 01605, USA | Assay Description The reaction mixture contained 2 µL of protease and 2 µL of inhibitor (or DMSO as a control) and was incubated for 20-30 min at room temper... | Chem Biol 20: 1116-24 (2013) Article DOI: 10.1016/j.chembiol.2013.07.014 BindingDB Entry DOI: 10.7270/Q2HQ3XKF | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| HIV-1 protease M1 (Human immunodeficiency virus) | BDBM112662 ((3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl ((2S,3...) | PDB MMDB B.MOAD GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | Article PubMed | 0.0340 | -14.3 | n/a | n/a | n/a | n/a | n/a | 4.7 | 25 |
University of Massachusetts Medical School, Worcester, MA 01605, USA | Assay Description The reaction mixture contained 2 µL of protease and 2 µL of inhibitor (or DMSO as a control) and was incubated for 20-30 min at room temper... | Chem Biol 20: 1116-24 (2013) Article DOI: 10.1016/j.chembiol.2013.07.014 BindingDB Entry DOI: 10.7270/Q2HQ3XKF | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| HIV-1 protease M2 (Human immunodeficiency virus) | BDBM112662 ((3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl ((2S,3...) | PDB MMDB B.MOAD GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 0.104 | -13.6 | n/a | n/a | n/a | n/a | n/a | 4.7 | 25 |
University of Massachusetts Medical School, Worcester, MA 01605, USA | Assay Description The reaction mixture contained 2 µL of protease and 2 µL of inhibitor (or DMSO as a control) and was incubated for 20-30 min at room temper... | Chem Biol 20: 1116-24 (2013) Article DOI: 10.1016/j.chembiol.2013.07.014 BindingDB Entry DOI: 10.7270/Q2HQ3XKF | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
