BDBM578 (2S)-N-[(2S,4S,5S)-5-[2-(2,6-dimethylphenoxy)acetamido]-4-hydroxy-1,6-diphenylhexan-2-yl]-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanamide::ABT-378::Aluviran::CHEMBL729::LPV::Lopinavir

SMILES CC(C)[C@H](N1CCCNC1=O)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)COc1c(C)cccc1C)Cc1ccccc1

InChI Key InChIKey=KJHKTHWMRKYKJE-SUGCFTRWSA-N

Data  17 KI  5 IC50  1 Kd  6 ITC

PDB links: 8 PDB IDs match this monomer.

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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 578   

TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM578((2S)-N-[(2S,4S,5S)-5-[2-(2,6-dimethylphenoxy)aceta...)
Affinity DataKd:  0.100nMAssay Description:Binding affinity for human immunodeficiency virus type 1 proteaseMore data for this Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 6 hits for monomerid = 578   

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

SyringePNGBDBM578((2S)-N-[(2S,4S,5S)-5-[2-(2,6-dimethylphenoxy)aceta...)
ITC DataΔG°: -14.9kcal/mole −TΔS°: -13.3kcal/mole ΔH°: -1.60kcal/mole logk: 8.70E+10
pH: 5.0 T: 25.00°C 
CellHIV-1 Protease Mutant (M46I/I54V)(Human immunodeficiency virus type 1)
The Johns Hopkins University

SyringePNGBDBM578((2S)-N-[(2S,4S,5S)-5-[2-(2,6-dimethylphenoxy)aceta...)
ITC DataΔG°: -14.9kcal/mole −TΔS°: -14.9kcal/mole ΔH°: 0kcal/mole logk: 8.10E+10
pH: 5.0 T: 25.00°C 
CellHIV-1 Protease Mutant, MDR-HM(Human immunodeficiency virus type 1)
The Johns Hopkins University

SyringePNGBDBM578((2S)-N-[(2S,4S,5S)-5-[2-(2,6-dimethylphenoxy)aceta...)
ITC DataΔG°: -11.3kcal/mole −TΔS°: -15.6kcal/mole ΔH°: 4.29kcal/mole logk: 1.80E+8
pH: 5.0 T: 25.00°C 
CellHIV-1 Protease Mutant, MDR-QM(Human immunodeficiency virus type 1)
The Johns Hopkins University

SyringePNGBDBM578((2S)-N-[(2S,4S,5S)-5-[2-(2,6-dimethylphenoxy)aceta...)
ITC DataΔG°: -12.8kcal/mole −TΔS°: -15.6kcal/mole ΔH°: 2.80kcal/mole logk: 2.50E+9
pH: 5.0 T: 25.00°C 
CellHIV-1 Protease Mutant (V82A/I84V)(Human immunodeficiency virus type 1)
The Johns Hopkins University

SyringePNGBDBM578((2S)-N-[(2S,4S,5S)-5-[2-(2,6-dimethylphenoxy)aceta...)
ITC DataΔG°: -13.9kcal/mole −TΔS°: -11.8kcal/mole ΔH°: -2.10kcal/mole logk: 1.60E+10
pH: 5.0 T: 25.00°C 
CellHIV-1 Protease(Human immunodeficiency virus type 1)
The Johns Hopkins University

SyringePNGBDBM578((2S)-N-[(2S,4S,5S)-5-[2-(2,6-dimethylphenoxy)aceta...)
ITC DataΔG°: -15.1kcal/mole −TΔS°: -11.3kcal/mole ΔH°: -3.79kcal/mole logk: 1.20E+11
pH: 5.0 T: 25.00°C