null
SMILES: CCCCNC(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1
InChI Key: InChIKey=CVKKUZMEEKVVIR-YTCPBCGMSA-N
PDB links: 7 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM477 ((2S)-N-[(2S,3R)-4-[(butylcarbamoyl)(2-methylpropyl...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 126 | n/a | n/a | n/a | n/a | n/a | n/a |
Washington University School of Medicine Curated by ChEMBL | Assay Description Inhibitory activity against HIV-1 Protease | J Med Chem 37: 2206-15 (1994) BindingDB Entry DOI: 10.7270/Q29C6ZNK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM477 ((2S)-N-[(2S,3R)-4-[(butylcarbamoyl)(2-methylpropyl...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 126 | n/a | n/a | n/a | n/a | 6.4 | 25 |
Monsanto Corporate Research | Assay Description IC50 values for inhibition of recombinant HIV protease were determined using the spectrofluorometric assay, which utilized an intramolecularly quench... | J Med Chem 36: 288-91 (1993) Article DOI: 10.1021/jm00054a014 BindingDB Entry DOI: 10.7270/Q2WW7FTF | |||||||||||
More data for this Ligand-Target Pair |