BDBM4218 AHPBA 26a::Z.Asn-(2S,3S).AHPBA.[4(S).chloro]Pro tert-butylamide::benzyl N-[(1S)-1-{[(2S,3S)-4-[(2S)-2-(tert-butylcarbamoyl)-4-chloropyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]carbamoyl}-2-carbamoylethyl]carbamate
SMILES: CC(C)(C)NC(=O)[C@@H]1CC(Cl)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1
InChI Key: InChIKey=YCNGLUOYGICABE-RDZHBEFDSA-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) | BDBM4218 (AHPBA 26a | Z.Asn-(2S,3S).AHPBA.[4(S).chloro]Pro t...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 8 | -11.5 | n/a | n/a | n/a | n/a | n/a | 4.7 | 37 |
Sankyo Co. Ltd. | Assay Description The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as... | Bioorg Med Chem 4: 1365-77 (1996) Article DOI: 10.1016/0968-0896(96)00130-7 BindingDB Entry DOI: 10.7270/Q2V9868K | |||||||||||
More data for this Ligand-Target Pair |