BDBM577 (3S)-oxolan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(2-methylpropyl)sulfonamido]-3-hydroxy-1-phenylbutan-2-yl]carbamate::141W94::APV::Agenerase::Amprenavir::BDBM50215393::CHEMBL116::VX-478

SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1

InChI Key InChIKey=YMARZQAQMVYCKC-OEMFJLHTSA-N

Data  50 KI  17 IC50  2 Kd  6 EC50  6 ITC

PDB links: 2 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 2 hits for monomerid = 577   

TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Evotec (U.K.)

Curated by ChEMBL
LigandPNGBDBM577((3S)-oxolan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(2-...)
Affinity DataKd:  1.10nMAssay Description:Binding affinity for human immunodeficiency virus type 1 proteaseMore data for this Ligand-Target Pair
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Evotec (U.K.)

Curated by ChEMBL
LigandPNGBDBM577((3S)-oxolan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(2-...)
Affinity DataKd:  0.589nMAssay Description:Affinity for HIV ProteaseMore data for this Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 6 hits for monomerid = 577   

CellHIV-1 Protease Mutant (L10I/L90M)(Human immunodeficiency virus type 1)
The Johns Hopkins University

SyringePNGBDBM577((3S)-oxolan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(2-...)
ITC DataΔG°: -12.4kcal/mole −TΔS°: -7.19kcal/mole ΔH°: -5.19kcal/mole logk: 1.30E+9
pH: 5.0 T: 25.00°C 
CellHIV-1 Protease Mutant, MDR-HM(Human immunodeficiency virus type 1)
The Johns Hopkins University

SyringePNGBDBM577((3S)-oxolan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(2-...)
ITC DataΔG°: -10.6kcal/mole −TΔS°: -12.2kcal/mole ΔH°: 1.60kcal/mole logk: 5.80E+7
pH: 5.0 T: 25.00°C 
CellHIV-1 Protease Mutant, MDR-QM(Human immunodeficiency virus type 1)
The Johns Hopkins University

SyringePNGBDBM577((3S)-oxolan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(2-...)
ITC DataΔG°: -11.6kcal/mole −TΔS°: -11.1kcal/mole ΔH°: -0.499kcal/mole logk: 3.20E+8
pH: 5.0 T: 25.00°C 
CellHIV-1 Protease Mutant (V82A/I84V)(Human immunodeficiency virus type 1)
The Johns Hopkins University

SyringePNGBDBM577((3S)-oxolan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(2-...)
ITC DataΔG°: -12.2kcal/mole −TΔS°: -6.59kcal/mole ΔH°: -5.59kcal/mole logk: 9.20E+8
pH: 5.0 T: 25.00°C 
CellHIV-1 Protease Mutant (M46I/I54V)(Human immunodeficiency virus type 1)
The Johns Hopkins University

SyringePNGBDBM577((3S)-oxolan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(2-...)
ITC DataΔG°: -12.8kcal/mole −TΔS°: -9.29kcal/mole ΔH°: -3.49kcal/mole logk: 2.40E+9
pH: 5.0 T: 25.00°C 
CellHIV-1 Protease(Human immunodeficiency virus type 1)
The Johns Hopkins University

SyringePNGBDBM577((3S)-oxolan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(2-...)
ITC DataΔG°: -13.2kcal/mole −TΔS°: -6.30kcal/mole ΔH°: -6.89kcal/mole logk: 5.00E+9
pH: 5.0 T: 25.00°C