BDBM50213021 CHEBI:63621::Fortovase::Invirase::Ro-31-8959::Ro-318959000::Saquinavir::US10806794, Compound Saquinavir

SMILES [H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc3ccccc3n1)[C@@H](C2)C(=O)NC(C)(C)C

InChI Key InChIKey=QWAXKHKRTORLEM-UGJKXSETSA-N

Data  13 KI  15 IC50  4 Kd

PDB links: 28 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50213021   

TargetHIV-1 protease(Human immunodeficiency virus)
Academy Of Sciences Of The Czech Republic

Curated by ChEMBL
LigandPNGBDBM50213021(CHEBI:63621 | Fortovase | Invirase | Ro-31-8959 | ...)
Affinity DataKi:  0.220nMAssay Description:Inhibition of HIV1 recombinant protease V32I/I47A mutant expressed in Escherichia coli by spectrophotometric assayMore data for this Ligand-Target Pair
TargetHIV-1 protease(Human immunodeficiency virus)
Academy Of Sciences Of The Czech Republic

Curated by ChEMBL
LigandPNGBDBM50213021(CHEBI:63621 | Fortovase | Invirase | Ro-31-8959 | ...)
Affinity DataKi:  0.510nMAssay Description:Inhibition of HIV1 recombinant protease D30N/N88D mutant expressed in Escherichia coli by spectrophotometric assayMore data for this Ligand-Target Pair
TargetHIV-1 protease(Human immunodeficiency virus)
Academy Of Sciences Of The Czech Republic

Curated by ChEMBL
LigandPNGBDBM50213021(CHEBI:63621 | Fortovase | Invirase | Ro-31-8959 | ...)
Affinity DataKi:  9nMAssay Description:Inhibition of HIV1 protease V32I mutant by competitive bindingMore data for this Ligand-Target Pair
TargetHIV-1 protease(Human immunodeficiency virus)
Academy Of Sciences Of The Czech Republic

Curated by ChEMBL
LigandPNGBDBM50213021(CHEBI:63621 | Fortovase | Invirase | Ro-31-8959 | ...)
Affinity DataKi:  12nMAssay Description:Inhibition of HIV1 recombinant protease A71V/V82T/I84V mutant expressed in Escherichia coli by spectrophotometric assayMore data for this Ligand-Target Pair
TargetHIV-1 protease(Human immunodeficiency virus)
Academy Of Sciences Of The Czech Republic

Curated by ChEMBL
LigandPNGBDBM50213021(CHEBI:63621 | Fortovase | Invirase | Ro-31-8959 | ...)
Affinity DataKi:  13nMAssay Description:Inhibition of HIV1 recombinant protease M46I/A71V/V82T/I84V mutant expressed in Escherichia coli by spectrophotometric assayMore data for this Ligand-Target Pair
TargetHIV-1 protease(Human immunodeficiency virus)
Academy Of Sciences Of The Czech Republic

Curated by ChEMBL
LigandPNGBDBM50213021(CHEBI:63621 | Fortovase | Invirase | Ro-31-8959 | ...)
Affinity DataKi:  71nMAssay Description:Inhibition of HIV1 recombinant protease L10F/L19I/K20R/L33F/E35D/M36I/R41K/F53L/I54V/L63P/H69K/A71V/T74P/I84V/L89M/L90M/I93L mutant expressed in Esch...More data for this Ligand-Target Pair
TargetHIV-1 protease(Human immunodeficiency virus)
Nektar Therapeutics

US Patent
LigandPNGBDBM50213021(CHEBI:63621 | Fortovase | Invirase | Ro-31-8959 | ...)
Affinity DataIC50:  0.0500nMAssay Description:Protease inhibitors (PI) are used to treat HIV infection by preventing viral assembly and maturation through the inhibition of HIV-1 protease activit...More data for this Ligand-Target Pair