null
SMILES: CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccccc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)C(C)C
InChI Key: InChIKey=VZNNJZGVQVNHCM-CDNLURBZSA-N
PDB links: 1 PDB ID matches this monomer. 3 PDB IDs contain inhibitors having a similarity of 90% to this monomer.
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM12216 ((2R,3R,4R,5R)-2,5-bis(benzyloxy)-3,4-dihydroxy-N-[...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 0.400 | -13.0 | 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) | ||||||||||||
Protease (Human immunodeficiency virus 1 (HIV-1)) | BDBM12216 ((2R,3R,4R,5R)-2,5-bis(benzyloxy)-3,4-dihydroxy-N-[...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Stockholm University Curated by ChEMBL | Assay Description Inhibition of HIV1 protease | Eur J Med Chem 45: 160-70 (2010) Article DOI: 10.1016/j.ejmech.2009.09.038 BindingDB Entry DOI: 10.7270/Q2KD21QM | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Protease (Human immunodeficiency virus 1 (HIV-1)) | BDBM12216 ((2R,3R,4R,5R)-2,5-bis(benzyloxy)-3,4-dihydroxy-N-[...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Stockholm University Curated by ChEMBL | Assay Description Inhibition of HIV1 recombinant protease by fluorometric assay | Eur J Med Chem 45: 160-70 (2010) Article DOI: 10.1016/j.ejmech.2009.09.038 BindingDB Entry DOI: 10.7270/Q2KD21QM | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |