null
SMILES: [#8]-[#6@@H]-1-[#6@@H](-[#8])-[#6@@H](-[#6]-c2ccccc2)-[#7](-[#6]-c2cccc(-[#8])c2)\[#6](=[#7]/C#N)-[#7](-[#6]-c2cccc(-[#8])c2)-[#6@@H]-1-[#6]-c1ccccc1
InChI Key: InChIKey=CGMCFNCFANOICN-FYZVQMPESA-N
PDB links: 1 PDB ID contains 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) | BDBM1702 (Cyclic Cyanoguanidine deriv. 8r | [4R-(4a,5a,6B,7B...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 0.720 | -13.0 | n/a | n/a | n/a | n/a | n/a | 5.5 | 37 |
The DuPont Merck Pharmaceutical Company | Assay Description Inhibition of HIV protease was measured by assay of the cleavage of a fluorescent peptide substrate. The fluorescent product (2-aminobenzoyl-Ala-Thr-... | J Med Chem 41: 1446-55 (1998) Article DOI: 10.1021/jm970524i BindingDB Entry DOI: 10.7270/Q2K935QM | |||||||||||
More data for this Ligand-Target Pair |