BDBM4698 (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S,3R)-4-[2H-1,3-benzodioxole-5-(5-acetamido-2,2-dimethylpentyl)sulfonamido]-3-hydroxy-1-phenylbutan-2-yl]carbamate::arylsulfonamide 16a
SMILES: [H][C@@]12CCO[C@]1([H])OC[C@@H]2OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)(C)CCCNC(C)=O)S(=O)(=O)c1ccc2OCOc2c1
InChI Key: InChIKey=KOJNTMCPHSTZQT-JIPUOCAHSA-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) | BDBM4698 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 0.0000540 | -18.4 | n/a | n/a | n/a | n/a | n/a | 5.5 | 30 |
GlaxoSmithKline | Assay Description The method was a competitive displacement assay used to determine binding affinities of other inhibitors relative to that of GW0385. The inhibitor of... | Bioorg Med Chem Lett 14: 959-63 (2004) Article DOI: 10.1016/j.bmcl.2003.12.008 BindingDB Entry DOI: 10.7270/Q21V5C57 | |||||||||||
More data for this Ligand-Target Pair |